4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzonitrile Formula: C20H21N3O MolecularWeight: 319.40024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O/c1-15-4-3-5-19(16(15)2)22-10-12-23(13-11-22)20(24)18-8-6-17(14-21)7-9-18/h3-9H,10-13H2,1-2H3