3-[[4-(4-pyridin-4-ylcarbonylpiperazin-1-yl)piperidin-1-yl]methyl]benzenecarbonitrile hydrochloride

Systemtic Name: 3-[[4-(4-pyridin-4-ylcarbonylpiperazin-1-yl)piperidin-1-yl]methyl]benzenecarbonitrile hydrochloride Openeye Name: 3-[[4-[4-(pyridine-4-carbonyl)piperazin-1-yl]-1-piperidyl]methyl]benzonitrile hydrochloride CAS Name: 3-[[4-[4-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]-1-piperidinyl]methyl]benzonitrile hydrochloride IUPAC Name: 3-[[4-[4-(pyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methyl]benzonitrile hydrochloride Traditional Name: 3-[[4-(4-isonicotinoylpiperazino)piperidino]methyl]benzonitrile hydrochloride Formula: C23H28ClN5O MolecularWeight: 425.95432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)C(=O)C3=CC=NC=C3)CC4=CC=CC(=C4)C#N.Cl

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)C(=O)C3=CC=NC=C3)CC4=CC=CC(=C4)C#N.Cl

InChI

InChI=1S/C23H27N5O.ClH/c24-17-19-2-1-3-20(16-19)18-26-10-6-22(7-11-26)27-12-14-28(15-13-27)23(29)21-4-8-25-9-5-21;/h1-5,8-9,16,22H,6-7,10-15,18H2;1H