4-[[4-[2-(3,4-dimethylphenyl)carbonylphenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(3,4-dimethylphenyl)carbonylphenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[2-[(3,4-dimethylphenyl)-oxomethyl]phenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazino]methyl]benzonitrile Formula: C28H27N3O2 MolecularWeight: 437.53288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C28H27N3O2/c1-20-7-12-24(17-21(20)2)27(32)25-5-3-4-6-26(25)28(33)31-15-13-30(14-16-31)19-23-10-8-22(18-29)9-11-23/h3-12,17H,13-16,19H2,1-2H3