1-[5-[(3,4-dimethoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone

Systemtic Name: 1-[5-[(3,4-dimethoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone Openeye Name: 1-[5-[(3,4-dimethoxyphenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]ethanone CAS Name: 1-[5-[(3,4-dimethoxyphenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]ethanone IUPAC Name: 1-[5-[(3,4-dimethoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone Traditional Name: 1-[3-(3-pyridyl)-5-(veratrylamino)-1,2,4-triazol-1-yl]ethanone Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C18H19N5O3/c1-12(24)23-18(21-17(22-23)14-5-4-8-19-11-14)20-10-13-6-7-15(25-2)16(9-13)26-3/h4-9,11H,10H2,1-3H3,(H,20,21,22)