3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(m-tolylmethyl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(3-methylbenzyl)piperazine-1-carbonyl]benzonitrile Formula: C20H21N3O MolecularWeight: 319.40024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC=CC(=C3)C#N

InChI

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