2-[4-(3-methylphenyl)carbonylpiperazin-1-yl]ethanenitrile

Systemtic Name: 2-[4-(3-methylphenyl)carbonylpiperazin-1-yl]ethanenitrile Openeye Name: 2-[4-(3-methylbenzoyl)piperazin-1-yl]acetonitrile CAS Name: 2-[4-[(3-methylphenyl)-oxomethyl]-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-(3-methylbenzoyl)piperazin-1-yl]acetonitrile Traditional Name: 2-(4-m-toluoylpiperazino)acetonitrile Formula: C14H17N3O MolecularWeight: 243.30428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC#N

InChI

InChI=1S/C14H17N3O/c1-12-3-2-4-13(11-12)14(18)17-9-7-16(6-5-15)8-10-17/h2-4,11H,6-10H2,1H3