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

Systemtic Name: 2-[4-methyl-3-oxidanylidene-7-(4-piperidin-4-ylpiperidin-1-yl)carbonyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid hydrochloride Openeye Name: 2-[4-methyl-3-oxo-7-[4-(4-piperidyl)piperidine-1-carbonyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid hydrochloride CAS Name: 2-[4-methyl-3-oxo-7-[oxo-[4-(4-piperidinyl)-1-piperidinyl]methyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid hydrochloride IUPAC Name: 2-[4-methyl-3-oxo-7-(4-piperidin-4-ylpiperidine-1-carbonyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid hydrochloride Traditional Name: 2-[3-keto-4-methyl-7-[4-(4-piperidyl)piperidine-1-carbonyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid hydrochloride Formula: C23H33ClN4O4 MolecularWeight: 464.98552

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(=O)N3CCC(CC3)C4CCNCC4)NC(C1=O)CC(=O)O.Cl

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)N3CCC(CC3)C4CCNCC4)NC(C1=O)CC(=O)O.Cl

InChI

InChI=1S/C23H32N4O4.ClH/c1-26-14-18-12-17(2-3-19(18)25-20(23(26)31)13-21(28)29)22(30)27-10-6-16(7-11-27)15-4-8-24-9-5-15;/h2-3,12,15-16,20,24-25H,4-11,13-14H2,1H3,(H,28,29);1H