[4-(cyclohexen-1-yl)-3-methyl-phenyl]-[9-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methanone

Systemtic Name: [4-(cyclohexen-1-yl)-3-methyl-phenyl]-[9-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methanone Openeye Name: [4-(cyclohexen-1-yl)-3-methyl-phenyl]-[9-[4-[2-(4-isopropylpiperazin-1-yl)ethyl]piperazine-1-carbonyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methanone CAS Name: [4-(1-cyclohexenyl)-3-methylphenyl]-[9-[oxo-[4-[2-(4-propan-2-yl-1-piperazinyl)ethyl]-1-piperazinyl]methyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methanone IUPAC Name: [4-(cyclohexen-1-yl)-3-methylphenyl]-[9-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperazine-1-carbonyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methanone Traditional Name: [4-(cyclohexen-1-yl)-3-methyl-phenyl]-[9-[4-[2-(4-isopropylpiperazino)ethyl]piperazine-1-carbonyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methanone Formula: C40H52N6O2 MolecularWeight: 648.87988

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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)CCN6CCN(CC6)C(C)C)C7=CCCCC7

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CC3=CC=C(N3CC4=CC=CC=C42)C(=O)N5CCN(CC5)CCN6CCN(CC6)C(C)C)C7=CCCCC7

InChI

InChI=1S/C40H52N6O2/c1-30(2)43-23-19-41(20-24-43)17-18-42-21-25-44(26-22-42)40(48)38-16-14-35-29-46(37-12-8-7-11-34(37)28-45(35)38)39(47)33-13-15-36(31(3)27-33)32-9-5-4-6-10-32/h7-9,11-16,27,30H,4-6,10,17-26,28-29H2,1-3H3