[4-(cyclohexen-1-yl)-3-methyl-phenyl]-[9-[4-[2-(4-prop-2-enylpiperazin-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-prop-2-enylpiperazin-1-yl)ethyl]piperazin-1-yl]carbonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methanone Openeye Name: [9-[4-[2-(4-allylpiperazin-1-yl)ethyl]piperazine-1-carbonyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-[4-(cyclohexen-1-yl)-3-methyl-phenyl]methanone CAS Name: [4-(1-cyclohexenyl)-3-methylphenyl]-[9-[oxo-[4-[2-(4-prop-2-enyl-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-prop-2-enylpiperazin-1-yl)ethyl]piperazine-1-carbonyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methanone Traditional Name: [9-[4-[2-(4-allylpiperazino)ethyl]piperazine-1-carbonyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-[4-(cyclohexen-1-yl)-3-methyl-phenyl]methanone Formula: C40H50N6O2 MolecularWeight: 646.864

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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)CC=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)CC=C)C7=CCCCC7

InChI

InChI=1S/C40H50N6O2/c1-3-17-41-18-20-42(21-19-41)22-23-43-24-26-44(27-25-43)40(48)38-16-14-35-30-46(37-12-8-7-11-34(37)29-45(35)38)39(47)33-13-15-36(31(2)28-33)32-9-5-4-6-10-32/h3,7-9,11-16,28H,1,4-6,10,17-27,29-30H2,2H3