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

Systemtic Name: 2-[4-(4,4-diphenylbutanoyl)piperazin-1-yl]-2-(2-methylpyridin-3-yl)ethanenitrile Openeye Name: 2-[4-(4,4-diphenylbutanoyl)piperazin-1-yl]-2-(2-methyl-3-pyridyl)acetonitrile CAS Name: 2-(2-methyl-3-pyridinyl)-2-[4-(1-oxo-4,4-diphenylbutyl)-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-(4,4-diphenylbutanoyl)piperazin-1-yl]-2-(2-methylpyridin-3-yl)acetonitrile Traditional Name: 2-[4-(4,4-diphenylbutanoyl)piperazino]-2-(2-methyl-3-pyridyl)acetonitrile Formula: C28H30N4O MolecularWeight: 438.564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O/c1-22-25(13-8-16-30-22)27(21-29)31-17-19-32(20-18-31)28(33)15-14-26(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-13,16,26-27H,14-15,17-20H2,1H3