3-[4-(3,5-dimethylphenyl)carbonylpiperazin-1-yl]propanenitrile

Systemtic Name: 3-[4-(3,5-dimethylphenyl)carbonylpiperazin-1-yl]propanenitrile Openeye Name: 3-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]propanenitrile CAS Name: 3-[4-[(3,5-dimethylphenyl)-oxomethyl]-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]propanenitrile Traditional Name: 3-[4-(3,5-dimethylbenzoyl)piperazino]propionitrile Formula: C16H21N3O MolecularWeight: 271.35744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O/c1-13-10-14(2)12-15(11-13)16(20)19-8-6-18(7-9-19)5-3-4-17/h10-12H,3,5-9H2,1-2H3