N-[3-chloranyl-4-[[9-(dimethylaminomethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]carbonyl]phenyl]-2-phenyl-benzamide

Systemtic Name: N-[3-chloranyl-4-[[9-(dimethylaminomethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]carbonyl]phenyl]-2-phenyl-benzamide Openeye Name: N-[3-chloro-4-[9-(dimethylaminomethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]phenyl]-2-phenyl-benzamide CAS Name: N-[3-chloro-4-[[9-(dimethylaminomethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-oxomethyl]phenyl]-2-phenylbenzamide IUPAC Name: N-[3-chloro-4-[9-(dimethylaminomethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]phenyl]-2-phenylbenzamide Traditional Name: N-[3-chloro-4-[9-(dimethylaminomethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]phenyl]-2-phenyl-benzamide Formula: C35H31ClN4O2 MolecularWeight: 575.09924

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C2N1CC3=CC=CC=C3N(C2)C(=O)C4=C(C=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6)Cl

Isomeric SMILES

CN(C)CC1=CC=C2N1CC3=CC=CC=C3N(C2)C(=O)C4=C(C=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6)Cl

InChI

InChI=1S/C35H31ClN4O2/c1-38(2)22-27-17-18-28-23-40(33-15-9-6-12-25(33)21-39(27)28)35(42)31-19-16-26(20-32(31)36)37-34(41)30-14-8-7-13-29(30)24-10-4-3-5-11-24/h3-20H,21-23H2,1-2H3,(H,37,41)