methyl 3-[[1,3-bis(oxidanylidene)-2-pyridin-2-yl-isoquinolin-4-ylidene]methylamino]-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: methyl 3-[[1,3-bis(oxidanylidene)-2-pyridin-2-yl-isoquinolin-4-ylidene]methylamino]-1H-1,2,4-triazole-5-carboxylate Openeye Name: methyl 3-[[1,3-dioxo-2-(2-pyridyl)-4-isoquinolylidene]methylamino]-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-[[1,3-dioxo-2-(2-pyridinyl)-4-isoquinolinylidene]methylamino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[(1,3-dioxo-2-pyridin-2-ylisoquinolin-4-ylidene)methylamino]-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-[[1,3-diketo-2-(2-pyridyl)-4-isoquinolylidene]methylamino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester Formula: C19H14N6O4 MolecularWeight: 390.35226

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=NN1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=NC(=NN1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C19H14N6O4/c1-29-18(28)15-22-19(24-23-15)21-10-13-11-6-2-3-7-12(11)16(26)25(17(13)27)14-8-4-5-9-20-14/h2-10H,1H3,(H2,21,22,23,24)