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

Systemtic Name: 2-(4-chlorophenyl)-5-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,3-triazole-4-carbonitrile Openeye Name: 2-(4-chlorophenyl)-5-[4-(3-methoxyphenyl)piperazin-1-yl]triazole-4-carbonitrile CAS Name: 2-(4-chlorophenyl)-5-[4-(3-methoxyphenyl)-1-piperazinyl]-4-triazolecarbonitrile IUPAC Name: 2-(4-chlorophenyl)-5-[4-(3-methoxyphenyl)piperazin-1-yl]triazole-4-carbonitrile Traditional Name: 2-(4-chlorophenyl)-5-[4-(3-methoxyphenyl)piperazino]triazole-4-carbonitrile Formula: C20H19ClN6O MolecularWeight: 394.85746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C3=NN(N=C3C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C3=NN(N=C3C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H19ClN6O/c1-28-18-4-2-3-17(13-18)25-9-11-26(12-10-25)20-19(14-22)23-27(24-20)16-7-5-15(21)6-8-16/h2-8,13H,9-12H2,1H3