3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[4-(m-tolyl)piperazin-1-yl]-3-oxo-propanenitrile CAS Name: 3-[4-(3-methylphenyl)-1-piperazinyl]-3-oxopropanenitrile IUPAC Name: 3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanenitrile Traditional Name: 3-keto-3-[4-(m-tolyl)piperazino]propionitrile Formula: C14H17N3O MolecularWeight: 243.30428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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