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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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