methyl 2-(4-aminophenyl)-6-methoxy-7-(4-methylpiperazin-1-yl)carbonyloxy-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(4-aminophenyl)-6-methoxy-7-(4-methylpiperazin-1-yl)carbonyloxy-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-(4-aminophenyl)-6-methoxy-7-(4-methylpiperazine-1-carbonyl)oxy-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 2-(4-aminophenyl)-6-methoxy-7-[(4-methyl-1-piperazinyl)-oxomethoxy]-1-oxo-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-aminophenyl)-6-methoxy-7-(4-methylpiperazine-1-carbonyl)oxy-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 2-(4-aminophenyl)-1-keto-6-methoxy-7-(4-methylpiperazine-1-carbonyl)oxy-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C33H36N4O9 MolecularWeight: 632.66034

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)OC2=C(C=C3C(=C2)C(=O)N(C(=C3C4=CC(=C(C(=C4)OC)OC)OC)C(=O)OC)C5=CC=C(C=C5)N)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)OC2=C(C=C3C(=C2)C(=O)N(C(=C3C4=CC(=C(C(=C4)OC)OC)OC)C(=O)OC)C5=CC=C(C=C5)N)OC

InChI

InChI=1S/C33H36N4O9/c1-35-11-13-36(14-12-35)33(40)46-25-18-23-22(17-24(25)41-2)28(19-15-26(42-3)30(44-5)27(16-19)43-4)29(32(39)45-6)37(31(23)38)21-9-7-20(34)8-10-21/h7-10,15-18H,11-14,34H2,1-6H3