3-[4-(3-methylphenyl)carbonylpiperazin-1-yl]propanenitrile

Systemtic Name: 3-[4-(3-methylphenyl)carbonylpiperazin-1-yl]propanenitrile Openeye Name: 3-[4-(3-methylbenzoyl)piperazin-1-yl]propanenitrile CAS Name: 3-[4-[(3-methylphenyl)-oxomethyl]-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-(3-methylbenzoyl)piperazin-1-yl]propanenitrile Traditional Name: 3-(4-m-toluoylpiperazino)propionitrile Formula: C15H19N3O MolecularWeight: 257.33086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O/c1-13-4-2-5-14(12-13)15(19)18-10-8-17(9-11-18)7-3-6-16/h2,4-5,12H,3,7-11H2,1H3