[9-[4-(2-dimethylaminoethyl)piperazin-1-yl]carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-[4-(2,5-dimethylpyrrol-1-yl)-3-methoxy-phenyl]methanone

Systemtic Name: [9-[4-(2-dimethylaminoethyl)piperazin-1-yl]carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-[4-(2,5-dimethylpyrrol-1-yl)-3-methoxy-phenyl]methanone Openeye Name: [9-[4-(2-dimethylaminoethyl)piperazine-1-carbonyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-[4-(2,5-dimethylpyrrol-1-yl)-3-methoxy-phenyl]methanone CAS Name: [9-[[4-(2-dimethylaminoethyl)-1-piperazinyl]-oxomethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-[4-(2,5-dimethyl-1-pyrrolyl)-3-methoxyphenyl]methanone IUPAC Name: [9-[4-(2-dimethylaminoethyl)piperazine-1-carbonyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-[4-(2,5-dimethylpyrrol-1-yl)-3-methoxyphenyl]methanone Traditional Name: [9-[4-(2-dimethylaminoethyl)piperazine-1-carbonyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-[4-(2,5-dimethylpyrrol-1-yl)-3-methoxy-phenyl]methanone Formula: C35H42N6O3 MolecularWeight: 594.74638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C=C(C=C2)C(=O)N3CC4=CC=C(N4CC5=CC=CC=C53)C(=O)N6CCN(CC6)CCN(C)C)OC)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C=C(C=C2)C(=O)N3CC4=CC=C(N4CC5=CC=CC=C53)C(=O)N6CCN(CC6)CCN(C)C)OC)C

InChI

InChI=1S/C35H42N6O3/c1-25-10-11-26(2)41(25)31-14-12-27(22-33(31)44-5)34(42)40-24-29-13-15-32(39(29)23-28-8-6-7-9-30(28)40)35(43)38-20-18-37(19-21-38)17-16-36(3)4/h6-15,22H,16-21,23-24H2,1-5H3