1-(4-methoxyphenyl)-4-[[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperazine

Systemtic Name: 1-(4-methoxyphenyl)-4-[[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperazine Openeye Name: 1-(4-methoxyphenyl)-4-[[3-(m-tolyl)-1H-1,2,4-triazol-5-yl]methyl]piperazine CAS Name: 1-(4-methoxyphenyl)-4-[[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperazine IUPAC Name: 1-(4-methoxyphenyl)-4-[[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperazine Traditional Name: 1-(4-methoxyphenyl)-4-[[3-(m-tolyl)-1H-1,2,4-triazol-5-yl]methyl]piperazine Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=N2)CN3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=N2)CN3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H25N5O/c1-16-4-3-5-17(14-16)21-22-20(23-24-21)15-25-10-12-26(13-11-25)18-6-8-19(27-2)9-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,22,23,24)