4-[[4-(2,5-dimethylphenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2,5-dimethylphenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2,5-dimethylbenzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2,5-dimethylphenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2,5-dimethylbenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2,5-dimethylbenzoyl)piperazino]methyl]benzonitrile Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O/c1-16-3-4-17(2)20(13-16)21(25)24-11-9-23(10-12-24)15-19-7-5-18(14-22)6-8-19/h3-8,13H,9-12,15H2,1-2H3