5-[[[2-(3,4-dimethoxyphenyl)-7-methoxy-quinolin-3-yl]methylamino]methyl]-1H-1,2,4-triazol-3-olate

Systemtic Name: 5-[[[2-(3,4-dimethoxyphenyl)-7-methoxy-quinolin-3-yl]methylamino]methyl]-1H-1,2,4-triazol-3-olate Openeye Name: 5-[[[2-(3,4-dimethoxyphenyl)-7-methoxy-3-quinolyl]methylamino]methyl]-1H-1,2,4-triazol-3-olate CAS Name: 5-[[[2-(3,4-dimethoxyphenyl)-7-methoxy-3-quinolinyl]methylamino]methyl]-1H-1,2,4-triazol-3-olate IUPAC Name: 5-[[[2-(3,4-dimethoxyphenyl)-7-methoxyquinolin-3-yl]methylamino]methyl]-1H-1,2,4-triazol-3-olate Traditional Name: 5-[[[2-(3,4-dimethoxyphenyl)-7-methoxy-3-quinolyl]methylamino]methyl]-1H-1,2,4-triazol-3-olate Formula: C22H22N5O4- MolecularWeight: 420.44118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)CNCC3=NC(=NN3)[O-])C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)CNCC3=NC(=NN3)[O-])C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C22H23N5O4/c1-29-16-6-4-13-8-15(11-23-12-20-25-22(28)27-26-20)21(24-17(13)10-16)14-5-7-18(30-2)19(9-14)31-3/h4-10,23H,11-12H2,1-3H3,(H2,25,26,27,28)/p-1