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

Systemtic Name: 4-[[4-(3-methoxy-4-methyl-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-methoxy-4-methyl-benzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3-methoxy-4-methylphenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-methoxy-4-methyl-benzoyl)piperazino]methyl]benzonitrile Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2/c1-16-3-8-19(13-20(16)26-2)21(25)24-11-9-23(10-12-24)15-18-6-4-17(14-22)5-7-18/h3-8,13H,9-12,15H2,1-2H3