N-phenyl-1-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-phenyl-1-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-1,2,3-triazole-4-carboxamide Openeye Name: N-phenyl-1-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]triazole-4-carboxamide CAS Name: N-phenyl-1-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-4-triazolecarboxamide IUPAC Name: N-phenyl-1-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]triazole-4-carboxamide Traditional Name: N-phenyl-1-[2-[(3,4,5-trimethoxybenzyl)amino]ethyl]triazole-4-carboxamide Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNCCN2C=C(N=N2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNCCN2C=C(N=N2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H25N5O4/c1-28-18-11-15(12-19(29-2)20(18)30-3)13-22-9-10-26-14-17(24-25-26)21(27)23-16-7-5-4-6-8-16/h4-8,11-12,14,22H,9-10,13H2,1-3H3,(H,23,27)