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

Systemtic Name: 2-[(7-ethyl-1H-indazol-5-yl)methyl]-4-[4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-1-(4-piperidin-4-ylpiperidin-1-yl)butane-1,4-dione Openeye Name: 2-[(7-ethyl-1H-indazol-5-yl)methyl]-4-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidyl]-1-[4-(4-piperidyl)-1-piperidyl]butane-1,4-dione CAS Name: 2-[(7-ethyl-1H-indazol-5-yl)methyl]-4-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidinyl]-1-[4-(4-piperidinyl)-1-piperidinyl]butane-1,4-dione IUPAC Name: 2-[(7-ethyl-1H-indazol-5-yl)methyl]-4-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-1-(4-piperidin-4-ylpiperidin-1-yl)butane-1,4-dione Traditional Name: 2-[(7-ethyl-1H-indazol-5-yl)methyl]-4-[4-(2-keto-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidino]-1-[4-(4-piperidyl)piperidino]butane-1,4-dione Formula: C38H51N7O3 MolecularWeight: 653.85664

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)CC(CC(=O)N3CCC(CC3)N4CCC5=CC=CC=C5NC4=O)C(=O)N6CCC(CC6)C7CCNCC7)C=NN2

Isomeric SMILES

CCC1=C2C(=CC(=C1)CC(CC(=O)N3CCC(CC3)N4CCC5=CC=CC=C5NC4=O)C(=O)N6CCC(CC6)C7CCNCC7)C=NN2

InChI

InChI=1S/C38H51N7O3/c1-2-27-21-26(23-32-25-40-42-36(27)32)22-31(37(47)44-16-9-29(10-17-44)28-7-14-39-15-8-28)24-35(46)43-18-12-33(13-19-43)45-20-11-30-5-3-4-6-34(30)41-38(45)48/h3-6,21,23,25,28-29,31,33,39H,2,7-20,22,24H2,1H3,(H,40,42)(H,41,48)