[9-[4-[3-(dimethylamino)propyl]piperazin-1-yl]carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-[4-(3-methoxyphenyl)-3-methyl-phenyl]methanone

Systemtic Name: [9-[4-[3-(dimethylamino)propyl]piperazin-1-yl]carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-[4-(3-methoxyphenyl)-3-methyl-phenyl]methanone Openeye Name: [9-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-[4-(3-methoxyphenyl)-3-methyl-phenyl]methanone CAS Name: [9-[[4-[3-(dimethylamino)propyl]-1-piperazinyl]-oxomethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-[4-(3-methoxyphenyl)-3-methylphenyl]methanone IUPAC Name: [9-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-[4-(3-methoxyphenyl)-3-methylphenyl]methanone Traditional Name: [9-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-[4-(3-methoxyphenyl)-3-methyl-phenyl]methanone Formula: C37H43N5O3 MolecularWeight: 605.76902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CC3=CC=C(N3CC4=CC=CC=C42)C(=O)N5CCN(CC5)CCCN(C)C)C6=CC(=CC=C6)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CC3=CC=C(N3CC4=CC=CC=C42)C(=O)N5CCN(CC5)CCCN(C)C)C6=CC(=CC=C6)OC

InChI

InChI=1S/C37H43N5O3/c1-27-23-29(13-15-33(27)28-10-7-11-32(24-28)45-4)36(43)42-26-31-14-16-35(41(31)25-30-9-5-6-12-34(30)42)37(44)40-21-19-39(20-22-40)18-8-17-38(2)3/h5-7,9-16,23-24H,8,17-22,25-26H2,1-4H3