5-(3-chloranyl-4-naphthalen-1-yl-phenyl)carbonyl-N-(2-pyridin-2-ylethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide

Systemtic Name: 5-(3-chloranyl-4-naphthalen-1-yl-phenyl)carbonyl-N-(2-pyridin-2-ylethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Openeye Name: 5-[3-chloro-4-(1-naphthyl)benzoyl]-N-[2-(2-pyridyl)ethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide CAS Name: 5-[[3-chloro-4-(1-naphthalenyl)phenyl]-oxomethyl]-N-[2-(2-pyridinyl)ethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide IUPAC Name: 5-(3-chloro-4-naphthalen-1-ylbenzoyl)-N-(2-pyridin-2-ylethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Traditional Name: 5-[3-chloro-4-(1-naphthyl)benzoyl]-N-[2-(2-pyridyl)ethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Formula: C37H29ClN4O2 MolecularWeight: 597.10476

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N(CC3=CC=C(N31)C(=O)NCCC4=CC=CC=N4)C(=O)C5=CC(=C(C=C5)C6=CC=CC7=CC=CC=C76)Cl

Isomeric SMILES

C1C2=CC=CC=C2N(CC3=CC=C(N31)C(=O)NCCC4=CC=CC=N4)C(=O)C5=CC(=C(C=C5)C6=CC=CC7=CC=CC=C76)Cl

InChI

InChI=1S/C37H29ClN4O2/c38-33-22-26(15-17-32(33)31-13-7-10-25-8-1-3-12-30(25)31)37(44)42-24-29-16-18-35(41(29)23-27-9-2-4-14-34(27)42)36(43)40-21-19-28-11-5-6-20-39-28/h1-18,20,22H,19,21,23-24H2,(H,40,43)