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

Systemtic Name: 2-(4-methoxyphenyl)-5-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,3-triazole-4-carbonitrile Openeye Name: 2-(4-methoxyphenyl)-5-[4-(3-methoxyphenyl)piperazin-1-yl]triazole-4-carbonitrile CAS Name: 2-(4-methoxyphenyl)-5-[4-(3-methoxyphenyl)-1-piperazinyl]-4-triazolecarbonitrile IUPAC Name: 2-(4-methoxyphenyl)-5-[4-(3-methoxyphenyl)piperazin-1-yl]triazole-4-carbonitrile Traditional Name: 2-(4-methoxyphenyl)-5-[4-(3-methoxyphenyl)piperazino]triazole-4-carbonitrile Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2N=C(C(=N2)N3CCN(CC3)C4=CC(=CC=C4)OC)C#N

Isomeric SMILES

COC1=CC=C(C=C1)N2N=C(C(=N2)N3CCN(CC3)C4=CC(=CC=C4)OC)C#N

InChI

InChI=1S/C21H22N6O2/c1-28-18-8-6-16(7-9-18)27-23-20(15-22)21(24-27)26-12-10-25(11-13-26)17-4-3-5-19(14-17)29-2/h3-9,14H,10-13H2,1-2H3