Benzamide, N-(2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)ethyl)-
Basic information
- CAS
72593-21-6- Standard SMILES
O=C(NCCN1CCN2Cc3[nH]c4ccccc4c3CC2C1)c1ccccc1- InChIKey
GAUKOIAUVRRGOI-UHFFFAOYSA-N- Molecular formula
- C23H26N4O
- Average molar mass
- 374.5 g/mol
- Monoisotopic mass
- 374.21066147
Names & identifiers
- Preferred name
- Benzamide, N-(2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)ethyl)-
- IUPAC
- N-[2-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)ethyl]benzamide
Names & synonyms
BRN 4570447N-(2-(3,4,6,7,12,12a-Hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)ethyl)benzamide72593-21-6Benzamide, N-(2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)ethyl)-RefChem:322185CHEMBL2260143DTXSID60993444N-[2-(3,4,6,7,12,12a-Hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl)ethyl]benzenecarboximidic acid
Database identifiers
- CAS
72593-21-6- PubChem CID
- 51631
- DTXSID
DTXSID60993444- ChEMBL
CHEMBL2260143- Nikkaji
- J1.610.025K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 51.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 549
Experimental & physicochemical properties
LogP1.52
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Related reactions
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Compound notes
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