9,9-dimethyl-6-pyridin-3-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Basic information
- CAS
330958-08-2- Standard SMILES
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1cccnc1- InChIKey
OXHCYXWMAGJQFK-UHFFFAOYSA-N- Molecular formula
- C20H21N3O
- Average molar mass
- 319.4 g/mol
Names & identifiers
- Preferred name
- 9,9-dimethyl-6-pyridin-3-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
- IUPAC
- 9,9-dimethyl-6-pyridin-3-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
- English name
- 3,3-Dimethyl-11-pyridin-3-yl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
- Molecular formula
- C20H21N3O
- Molecular weight
- 319.4
Names & synonyms
330958-08-29,9-dimethyl-6-pyridin-3-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one9,9-dimethyl-6-(3-pyridyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one3,3-dimethyl-11-(3-pyridinyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one3,3-dimethyl-11-(pyridin-3-yl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol3,3-dimethyl-11-(pyridin-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-oneOprea1_099655Oprea1_206789Oprea1_602813MLS000108097CHEMBL1510529HMS2350M11
Show more names
TOSLAB 7017283,3-Dimethyl-11-pyridin-3-yl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one1H-Dibenzo[b,e][1,4]diazepin-1-one, 2,3,4,5,10,11-hexahydro-3,3-dimethyl-11-(3-pyridinyl)-
STK057873STK741938AKOS000622133AKOS005524431AKOS021993389SMR000059297ST50007018AG-690/12894597
Database identifiers
- CAS
330958-08-2- ChEMBL
CHEMBL1510529
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 539
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Compound notes
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