3-[(4-methylpiperazin-1-yl)methyl]-4-oxidanylidene-4-phenyl-butanenitrile

Systemtic Name: 3-[(4-methylpiperazin-1-yl)methyl]-4-oxidanylidene-4-phenyl-butanenitrile Openeye Name: 3-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4-phenyl-butanenitrile CAS Name: 3-[(4-methyl-1-piperazinyl)methyl]-4-oxo-4-phenylbutanenitrile IUPAC Name: 3-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4-phenylbutanenitrile Traditional Name: 4-keto-3-[(4-methylpiperazino)methyl]-4-phenyl-butyronitrile Formula: C16H21N3O MolecularWeight: 271.35744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(CC#N)C(=O)C2=CC=CC=C2

Isomeric SMILES

CN1CCN(CC1)CC(CC#N)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H21N3O/c1-18-9-11-19(12-10-18)13-15(7-8-17)16(20)14-5-3-2-4-6-14/h2-6,15H,7,9-13H2,1H3