5-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)-1,2,3-triazole-4-carbonitrile

Systemtic Name: 5-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)-1,2,3-triazole-4-carbonitrile Openeye Name: 5-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(p-tolyl)triazole-4-carbonitrile CAS Name: 5-[4-(3-methoxyphenyl)-1-piperazinyl]-2-(4-methylphenyl)-4-triazolecarbonitrile IUPAC Name: 5-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)triazole-4-carbonitrile Traditional Name: 5-[4-(3-methoxyphenyl)piperazino]-2-(p-tolyl)triazole-4-carbonitrile Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2N=C(C(=N2)N3CCN(CC3)C4=CC(=CC=C4)OC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C(C(=N2)N3CCN(CC3)C4=CC(=CC=C4)OC)C#N

InChI

InChI=1S/C21H22N6O/c1-16-6-8-17(9-7-16)27-23-20(15-22)21(24-27)26-12-10-25(11-13-26)18-4-3-5-19(14-18)28-2/h3-9,14H,10-13H2,1-2H3