methyl 2-(1H-indazol-5-yl)-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(1H-indazol-5-yl)-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-(1H-indazol-5-yl)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 2-(1H-indazol-5-yl)-1-oxo-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(1H-indazol-5-yl)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 2-(1H-indazol-5-yl)-1-keto-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C27H23N3O6 MolecularWeight: 485.48802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC5=C(C=C4)NN=C5)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC5=C(C=C4)NN=C5)C(=O)OC

InChI

InChI=1S/C27H23N3O6/c1-33-21-12-15(13-22(34-2)25(21)35-3)23-18-7-5-6-8-19(18)26(31)30(24(23)27(32)36-4)17-9-10-20-16(11-17)14-28-29-20/h5-14H,1-4H3,(H,28,29)