3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[4-(2,3,4-trimethoxybenzyl)piperazino]-1H-1,2,4-triazol-5-yl]amine Formula: C16H24N6O3 MolecularWeight: 348.40016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)C3=NNC(=N3)N)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)C3=NNC(=N3)N)OC)OC

InChI

InChI=1S/C16H24N6O3/c1-23-12-5-4-11(13(24-2)14(12)25-3)10-21-6-8-22(9-7-21)16-18-15(17)19-20-16/h4-5H,6-10H2,1-3H3,(H3,17,18,19,20)