3-[[4-[4-(3-methylphenyl)-1,2,3-triazol-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[4-(3-methylphenyl)-1,2,3-triazol-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[4-(m-tolyl)triazol-1-yl]-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-[4-(3-methylphenyl)-1-triazolyl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[4-(3-methylphenyl)triazol-1-yl]piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[4-(m-tolyl)triazol-1-yl]piperidino]methyl]benzonitrile Formula: C22H23N5 MolecularWeight: 357.45152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CN(N=N2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C2=CN(N=N2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H23N5/c1-17-4-2-7-20(12-17)22-16-27(25-24-22)21-8-10-26(11-9-21)15-19-6-3-5-18(13-19)14-23/h2-7,12-13,16,21H,8-11,15H2,1H3