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

Systemtic Name: 2-(2-methylpyridin-3-yl)-2-[4-(3-phenylbutanoyl)piperazin-1-yl]ethanenitrile Openeye Name: 2-(2-methyl-3-pyridyl)-2-[4-(3-phenylbutanoyl)piperazin-1-yl]acetonitrile CAS Name: 2-(2-methyl-3-pyridinyl)-2-[4-(1-oxo-3-phenylbutyl)-1-piperazinyl]acetonitrile IUPAC Name: 2-(2-methylpyridin-3-yl)-2-[4-(3-phenylbutanoyl)piperazin-1-yl]acetonitrile Traditional Name: 2-(2-methyl-3-pyridyl)-2-[4-(3-phenylbutanoyl)piperazino]acetonitrile Formula: C22H26N4O MolecularWeight: 362.46804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O/c1-17(19-7-4-3-5-8-19)15-22(27)26-13-11-25(12-14-26)21(16-23)20-9-6-10-24-18(20)2/h3-10,17,21H,11-15H2,1-2H3