2-[4-[2-(1,1-diphenylethylamino)ethanoyl]piperazin-1-yl]-2-(2-methylpyridin-3-yl)ethanenitrile

Systemtic Name: 2-[4-[2-(1,1-diphenylethylamino)ethanoyl]piperazin-1-yl]-2-(2-methylpyridin-3-yl)ethanenitrile Openeye Name: 2-[4-[2-(1,1-diphenylethylamino)acetyl]piperazin-1-yl]-2-(2-methyl-3-pyridyl)acetonitrile CAS Name: 2-[4-[2-(1,1-diphenylethylamino)-1-oxoethyl]-1-piperazinyl]-2-(2-methyl-3-pyridinyl)acetonitrile IUPAC Name: 2-[4-[2-(1,1-diphenylethylamino)acetyl]piperazin-1-yl]-2-(2-methylpyridin-3-yl)acetonitrile Traditional Name: 2-[4-[2-(1,1-diphenylethylamino)acetyl]piperazino]-2-(2-methyl-3-pyridyl)acetonitrile Formula: C28H31N5O MolecularWeight: 453.57864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)CNC(C)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)CNC(C)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H31N5O/c1-22-25(14-9-15-30-22)26(20-29)32-16-18-33(19-17-32)27(34)21-31-28(2,23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-15,26,31H,16-19,21H2,1-2H3