2-[4-[2-[(diphenylmethyl)-methyl-amino]ethanoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile hydrochloride

Systemtic Name: 2-[4-[2-[(diphenylmethyl)-methyl-amino]ethanoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile hydrochloride Openeye Name: 2-[4-[2-[benzhydryl(methyl)amino]acetyl]piperazin-1-yl]-2-(3-pyridyl)acetonitrile hydrochloride CAS Name: 2-[4-[2-[(diphenylmethyl)-methylamino]-1-oxoethyl]-1-piperazinyl]-2-(3-pyridinyl)acetonitrile hydrochloride IUPAC Name: 2-[4-[2-[benzhydryl(methyl)amino]acetyl]piperazin-1-yl]-2-pyridin-3-ylacetonitrile hydrochloride Traditional Name: 2-[4-[2-[benzhydryl(methyl)amino]acetyl]piperazino]-2-(3-pyridyl)acetonitrile hydrochloride Formula: C27H30ClN5O MolecularWeight: 476.013

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCN(CC1)C(C#N)C2=CN=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4.Cl

Isomeric SMILES

CN(CC(=O)N1CCN(CC1)C(C#N)C2=CN=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C27H29N5O.ClH/c1-30(27(22-9-4-2-5-10-22)23-11-6-3-7-12-23)21-26(33)32-17-15-31(16-18-32)25(19-28)24-13-8-14-29-20-24;/h2-14,20,25,27H,15-18,21H2,1H3;1H