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

Systemtic Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone CAS Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-2-phenoxyethanone IUPAC Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-phenoxyethanone Traditional Name: 1-[5-(p-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=C(C=C1)CNC2=NC(=NN2C(=O)COC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC(=NN2C(=O)COC3=CC=CC=C3)C4=CN=CC=C4

InChI

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