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

Systemtic Name: 9-chloranyl-N-cycloheptyl-6-oxidanylidene-5-(phenylmethyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-4-carboxamide Openeye Name: 5-benzyl-9-chloro-N-cycloheptyl-6-oxo-4H-pyrrolo[1,2-a][1,4]benzodiazepine-4-carboxamide CAS Name: 9-chloro-N-cycloheptyl-6-oxo-5-(phenylmethyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-4-carboxamide IUPAC Name: 5-benzyl-9-chloro-N-cycloheptyl-6-oxo-4H-pyrrolo[1,2-a][1,4]benzodiazepine-4-carboxamide Traditional Name: 5-benzyl-9-chloro-N-cycloheptyl-6-keto-4H-pyrrolo[1,2-a][1,4]benzodiazepine-4-carboxamide Formula: C27H28ClN3O2 MolecularWeight: 461.98312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2C3=CC=CN3C4=C(C=CC(=C4)Cl)C(=O)N2CC5=CC=CC=C5

Isomeric SMILES

C1CCCC(CC1)NC(=O)C2C3=CC=CN3C4=C(C=CC(=C4)Cl)C(=O)N2CC5=CC=CC=C5

InChI

InChI=1S/C27H28ClN3O2/c28-20-14-15-22-24(17-20)30-16-8-13-23(30)25(26(32)29-21-11-6-1-2-7-12-21)31(27(22)33)18-19-9-4-3-5-10-19/h3-5,8-10,13-17,21,25H,1-2,6-7,11-12,18H2,(H,29,32)