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

Systemtic Name: 3-[4-(2-methylphenyl)carbonylpiperazin-1-yl]propanenitrile Openeye Name: 3-[4-(2-methylbenzoyl)piperazin-1-yl]propanenitrile CAS Name: 3-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-(2-methylbenzoyl)piperazin-1-yl]propanenitrile Traditional Name: 3-(4-o-toluoylpiperazino)propionitrile Formula: C15H19N3O MolecularWeight: 257.33086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)CCC#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)CCC#N

InChI

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