2-[(1,7-dimethylindazol-5-yl)methyl]-4-[4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-1-(4-piperidin-4-ylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 2-[(1,7-dimethylindazol-5-yl)methyl]-4-[4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-1-(4-piperidin-4-ylpiperazin-1-yl)butane-1,4-dione Openeye Name: 2-[(1,7-dimethylindazol-5-yl)methyl]-4-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidyl]-1-[4-(4-piperidyl)piperazin-1-yl]butane-1,4-dione CAS Name: 2-[(1,7-dimethyl-5-indazolyl)methyl]-4-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidinyl]-1-[4-(4-piperidinyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 2-[(1,7-dimethylindazol-5-yl)methyl]-4-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-1-(4-piperidin-4-ylpiperazin-1-yl)butane-1,4-dione Traditional Name: 2-[(1,7-dimethylindazol-5-yl)methyl]-4-[4-(2-keto-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidino]-1-[4-(4-piperidyl)piperazino]butane-1,4-dione Formula: C37H50N8O3 MolecularWeight: 654.8447

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)CC(CC(=O)N3CCC(CC3)N4CCC5=CC=CC=C5NC4=O)C(=O)N6CCN(CC6)C7CCNCC7)C=NN2C

Isomeric SMILES

CC1=C2C(=CC(=C1)CC(CC(=O)N3CCC(CC3)N4CCC5=CC=CC=C5NC4=O)C(=O)N6CCN(CC6)C7CCNCC7)C=NN2C

InChI

InChI=1S/C37H50N8O3/c1-26-21-27(23-30-25-39-41(2)35(26)30)22-29(36(47)44-19-17-42(18-20-44)31-7-12-38-13-8-31)24-34(46)43-14-10-32(11-15-43)45-16-9-28-5-3-4-6-33(28)40-37(45)48/h3-6,21,23,25,29,31-32,38H,7-20,22,24H2,1-2H3,(H,40,48)