[2-[(4-pyridin-4-ylpiperazin-1-yl)carbonylamino]piperidin-1-yl] 4-methylpentanoate dihydrochloride

Systemtic Name: [2-[(4-pyridin-4-ylpiperazin-1-yl)carbonylamino]piperidin-1-yl] 4-methylpentanoate dihydrochloride Openeye Name: [2-[[4-(4-pyridyl)piperazine-1-carbonyl]amino]-1-piperidyl] 4-methylpentanoate dihydrochloride CAS Name: 4-methylpentanoic acid [2-[[oxo-(4-pyridin-4-yl-1-piperazinyl)methyl]amino]-1-piperidinyl] ester dihydrochloride IUPAC Name: [2-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl] 4-methylpentanoate dihydrochloride Traditional Name: 4-methylvaleric acid [2-[[4-(4-pyridyl)piperazine-1-carbonyl]amino]piperidino] ester dihydrochloride Formula: C21H35Cl2N5O3 MolecularWeight: 476.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)ON1CCCCC1NC(=O)N2CCN(CC2)C3=CC=NC=C3.Cl.Cl

Isomeric SMILES

CC(C)CCC(=O)ON1CCCCC1NC(=O)N2CCN(CC2)C3=CC=NC=C3.Cl.Cl

InChI

InChI=1S/C21H33N5O3.2ClH/c1-17(2)6-7-20(27)29-26-12-4-3-5-19(26)23-21(28)25-15-13-24(14-16-25)18-8-10-22-11-9-18;;/h8-11,17,19H,3-7,12-16H2,1-2H3,(H,23,28);2*1H