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

Systemtic Name: [5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone Openeye Name: [5-[(4-methoxyphenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone CAS Name: [5-[(4-methoxyphenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone IUPAC Name: [5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone Traditional Name: (3-nitrophenyl)-[5-(p-anisylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]methanone Formula: C22H18N6O4 MolecularWeight: 430.41612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CN=CC=C4

InChI

InChI=1S/C22H18N6O4/c1-32-19-9-7-15(8-10-19)13-24-22-25-20(17-5-3-11-23-14-17)26-27(22)21(29)16-4-2-6-18(12-16)28(30)31/h2-12,14H,13H2,1H3,(H,24,25,26)