4-[[4-(3-methylphenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3-methylphenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3-methylphenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[(4-m-toluoylpiperazino)methyl]benzonitrile Formula: C20H21N3O MolecularWeight: 319.40024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H21N3O/c1-16-3-2-4-19(13-16)20(24)23-11-9-22(10-12-23)15-18-7-5-17(14-21)6-8-18/h2-8,13H,9-12,15H2,1H3