3,9,9-trimethyl-6-pyridin-3-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Basic information
- CAS
1022734-21-9- Standard SMILES
Cc1ccc2c(c1)NC(c1cccnc1)C1=C(CC(C)(C)CC1=O)N2- InChIKey
LESOCJNBYQDOGR-UHFFFAOYSA-N- Molecular formula
- C21H23N3O
- Average molar mass
- 333.4 g/mol
Names & identifiers
- Preferred name
- 3,9,9-trimethyl-6-pyridin-3-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
- IUPAC
- 3,9,9-trimethyl-6-pyridin-3-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
- English name
- 2,10-Diaza-5,5,13-trimethyl-9-(3-pyridyl)tricyclo[9.4.0.0(3,8)]pentadeca-1(15),3(8),11(12),13-tetraen-7-one
- Molecular formula
- C21H23N3O
- Molecular weight
- 333.43
Names & synonyms
1022734-21-92,10-diaza-5,5,13-trimethyl-9-(3-pyridyl)tricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one3,9,9-trimethyl-6-pyridin-3-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-oneXQB73421MFCD00170127AKOS022168946MS-110653,9,9-trimethyl-6-(3-pyridyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one6,14,14-trimethyl-10-(pyridin-3-yl)-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one1H-Dibenzo[b,e][1,4]diazepin-1-one, 2,3,4,5,10,11-hexahydro-3,3,8-trimethyl-11-(3-pyridinyl)-2,10-Diaza-5,5,13-trimethyl-9-(3-pyridyl)tricyclo[9.4.0.0(3,8)]pentadeca-1(15),3(8),11(12),13-tetraen-7-one2,10-diaza-5,5,13-trimethyl-9-(3-pyridyl)tricyclo[9.4.0.0<,3,8>,]pentadeca-1(15),3(8),11(12),13-tetraen-7-one
Database identifiers
- CAS
1022734-21-9
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 567
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Compound notes
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