1-[2-[(3-ethoxy-4-methoxy-phenyl)methylamino]ethyl]-N-(pyridin-2-ylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[2-[(3-ethoxy-4-methoxy-phenyl)methylamino]ethyl]-N-(pyridin-2-ylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[2-[(3-ethoxy-4-methoxy-phenyl)methylamino]ethyl]-N-(2-pyridylmethyl)triazole-4-carboxamide CAS Name: 1-[2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethyl]-N-(2-pyridinylmethyl)-4-triazolecarboxamide IUPAC Name: 1-[2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide Traditional Name: 1-[2-[(3-ethoxy-4-methoxy-benzyl)amino]ethyl]-N-(2-pyridylmethyl)triazole-4-carboxamide Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNCCN2C=C(N=N2)C(=O)NCC3=CC=CC=N3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNCCN2C=C(N=N2)C(=O)NCC3=CC=CC=N3)OC

InChI

InChI=1S/C21H26N6O3/c1-3-30-20-12-16(7-8-19(20)29-2)13-22-10-11-27-15-18(25-26-27)21(28)24-14-17-6-4-5-9-23-17/h4-9,12,15,22H,3,10-11,13-14H2,1-2H3,(H,24,28)