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

Systemtic Name: 2-[4-[2-[(diphenylmethyl)-methyl-amino]ethanoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile Openeye Name: 2-[4-[2-[benzhydryl(methyl)amino]acetyl]piperazin-1-yl]-2-(3-pyridyl)acetonitrile CAS Name: 2-[4-[2-[(diphenylmethyl)-methylamino]-1-oxoethyl]-1-piperazinyl]-2-(3-pyridinyl)acetonitrile IUPAC Name: 2-[4-[2-[benzhydryl(methyl)amino]acetyl]piperazin-1-yl]-2-pyridin-3-ylacetonitrile Traditional Name: 2-[4-[2-[benzhydryl(methyl)amino]acetyl]piperazino]-2-(3-pyridyl)acetonitrile Formula: C27H29N5O MolecularWeight: 439.55206

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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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O/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