(2-chloranyl-4-naphthalen-1-yl-phenyl)-[9-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methanone

Systemtic Name: (2-chloranyl-4-naphthalen-1-yl-phenyl)-[9-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methanone Openeye Name: [2-chloro-4-(1-naphthyl)phenyl]-[9-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methanone CAS Name: [2-chloro-4-(1-naphthalenyl)phenyl]-[9-[oxo-[2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methanone IUPAC Name: (2-chloro-4-naphthalen-1-ylphenyl)-[9-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methanone Traditional Name: [2-chloro-4-(1-naphthyl)phenyl]-[9-[2-(pyrrolidinomethyl)pyrrolidine-1-carbonyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methanone Formula: C39H37ClN4O2 MolecularWeight: 629.18968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2CCCN2C(=O)C3=CC=C4N3CC5=CC=CC=C5N(C4)C(=O)C6=C(C=C(C=C6)C7=CC=CC8=CC=CC=C87)Cl

Isomeric SMILES

C1CCN(C1)CC2CCCN2C(=O)C3=CC=C4N3CC5=CC=CC=C5N(C4)C(=O)C6=C(C=C(C=C6)C7=CC=CC8=CC=CC=C87)Cl

InChI

InChI=1S/C39H37ClN4O2/c40-35-23-28(33-14-7-11-27-9-1-3-13-32(27)33)16-18-34(35)38(45)44-26-31-17-19-37(43(31)24-29-10-2-4-15-36(29)44)39(46)42-22-8-12-30(42)25-41-20-5-6-21-41/h1-4,7,9-11,13-19,23,30H,5-6,8,12,20-22,24-26H2