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

Systemtic Name: 1-[5-[(2-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[5-[(2-methoxyphenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone CAS Name: 1-[5-[(2-methoxyphenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-2-phenoxyethanone IUPAC Name: 1-[5-[(2-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-phenoxyethanone Traditional Name: 1-[5-(o-anisylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone Formula: C23H21N5O3 MolecularWeight: 415.44454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC2=NC(=NN2C(=O)COC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=CC=C1CNC2=NC(=NN2C(=O)COC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C23H21N5O3/c1-30-20-12-6-5-8-17(20)15-25-23-26-22(18-9-7-13-24-14-18)27-28(23)21(29)16-31-19-10-3-2-4-11-19/h2-14H,15-16H2,1H3,(H,25,26,27)