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

Systemtic Name: 2-[4-methyl-3-oxidanylidene-7-(4-piperidin-4-ylpiperidin-1-yl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[4-methyl-3-oxo-7-[4-(4-piperidyl)-1-piperidyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[4-methyl-3-oxo-7-[4-(4-piperidinyl)-1-piperidinyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[4-methyl-3-oxo-7-(4-piperidin-4-ylpiperidin-1-yl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[3-keto-4-methyl-7-[4-(4-piperidyl)piperidino]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Formula: C22H31N4O3- MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)N3CCC(CC3)C4CCNCC4)NC(C1=O)CC(=O)[O-]

Isomeric SMILES

CN1CC2=C(C=CC(=C2)N3CCC(CC3)C4CCNCC4)NC(C1=O)CC(=O)[O-]

InChI

InChI=1S/C22H32N4O3/c1-25-14-17-12-18(2-3-19(17)24-20(22(25)29)13-21(27)28)26-10-6-16(7-11-26)15-4-8-23-9-5-15/h2-3,12,15-16,20,23-24H,4-11,13-14H2,1H3,(H,27,28)/p-1