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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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