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

Systemtic Name: methyl 2-(3-methylbenzotriazol-5-yl)-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-(3-methylbenzotriazol-5-yl)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 2-(3-methyl-5-benzotriazolyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-methylbenzotriazol-5-yl)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 1-keto-2-(3-methylbenzotriazol-5-yl)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C27H24N4O6 MolecularWeight: 500.50266

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)N3C(=C(C4=CC=CC=C4C3=O)C5=CC(=C(C(=C5)OC)OC)OC)C(=O)OC)N=N1

Isomeric SMILES

CN1C2=C(C=CC(=C2)N3C(=C(C4=CC=CC=C4C3=O)C5=CC(=C(C(=C5)OC)OC)OC)C(=O)OC)N=N1

InChI

InChI=1S/C27H24N4O6/c1-30-20-14-16(10-11-19(20)28-29-30)31-24(27(33)37-5)23(17-8-6-7-9-18(17)26(31)32)15-12-21(34-2)25(36-4)22(13-15)35-3/h6-14H,1-5H3