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

Systemtic Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one Openeye Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one CAS Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-3-(3-nitrophenyl)-2-propen-1-one IUPAC Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one Traditional Name: 3-(3-nitrophenyl)-1-[5-(p-anisylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]prop-2-en-1-one Formula: C24H20N6O4 MolecularWeight: 456.4534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])C4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])C4=CN=CC=C4

InChI

InChI=1S/C24H20N6O4/c1-34-21-10-7-18(8-11-21)15-26-24-27-23(19-5-3-13-25-16-19)28-29(24)22(31)12-9-17-4-2-6-20(14-17)30(32)33/h2-14,16H,15H2,1H3,(H,26,27,28)