9-chloranyl-N-cycloheptyl-5-[(4-methylphenyl)methyl]-6-oxidanylidene-4H-pyrrolo[1,2-a][1,4]benzodiazepine-4-carboxamide

Systemtic Name: 9-chloranyl-N-cycloheptyl-5-[(4-methylphenyl)methyl]-6-oxidanylidene-4H-pyrrolo[1,2-a][1,4]benzodiazepine-4-carboxamide Openeye Name: 9-chloro-N-cycloheptyl-6-oxo-5-(p-tolylmethyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-4-carboxamide CAS Name: 9-chloro-N-cycloheptyl-5-[(4-methylphenyl)methyl]-6-oxo-4H-pyrrolo[1,2-a][1,4]benzodiazepine-4-carboxamide IUPAC Name: 9-chloro-N-cycloheptyl-5-[(4-methylphenyl)methyl]-6-oxo-4H-pyrrolo[1,2-a][1,4]benzodiazepine-4-carboxamide Traditional Name: 9-chloro-N-cycloheptyl-6-keto-5-(4-methylbenzyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-4-carboxamide Formula: C28H30ClN3O2 MolecularWeight: 476.0097

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(C3=CC=CN3C4=C(C2=O)C=CC(=C4)Cl)C(=O)NC5CCCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(C3=CC=CN3C4=C(C2=O)C=CC(=C4)Cl)C(=O)NC5CCCCCC5

InChI

InChI=1S/C28H30ClN3O2/c1-19-10-12-20(13-11-19)18-32-26(27(33)30-22-7-4-2-3-5-8-22)24-9-6-16-31(24)25-17-21(29)14-15-23(25)28(32)34/h6,9-17,22,26H,2-5,7-8,18H2,1H3,(H,30,33)