2-[4-(3,4-dimethylphenyl)carbonylpiperazin-1-yl]ethanenitrile

Systemtic Name: 2-[4-(3,4-dimethylphenyl)carbonylpiperazin-1-yl]ethanenitrile Openeye Name: 2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]acetonitrile CAS Name: 2-[4-[(3,4-dimethylphenyl)-oxomethyl]-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]acetonitrile Traditional Name: 2-[4-(3,4-dimethylbenzoyl)piperazino]acetonitrile Formula: C15H19N3O MolecularWeight: 257.33086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O/c1-12-3-4-14(11-13(12)2)15(19)18-9-7-17(6-5-16)8-10-18/h3-4,11H,6-10H2,1-2H3