methyl 2-(4-azanylcyclohexyl)-4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinoline-3-carboxylate hydrochloride

Systemtic Name: methyl 2-(4-azanylcyclohexyl)-4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinoline-3-carboxylate hydrochloride Openeye Name: methyl 2-(4-aminocyclohexyl)-4-(3-bromo-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxo-isoquinoline-3-carboxylate hydrochloride CAS Name: 2-(4-aminocyclohexyl)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3-isoquinolinecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 2-(4-aminocyclohexyl)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-3-carboxylate hydrochloride Traditional Name: 2-(4-aminocyclohexyl)-4-(3-bromo-4,5-dimethoxy-phenyl)-1-keto-6,7-dimethoxy-isoquinoline-3-carboxylic acid methyl ester hydrochloride Formula: C27H32BrClN2O7 MolecularWeight: 611.90918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)C4CCC(CC4)N)C(=O)OC)Br)OC.Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)C4CCC(CC4)N)C(=O)OC)Br)OC.Cl

InChI

InChI=1S/C27H31BrN2O7.ClH/c1-33-20-12-17-18(13-21(20)34-2)26(31)30(16-8-6-15(29)7-9-16)24(27(32)37-5)23(17)14-10-19(28)25(36-4)22(11-14)35-3;/h10-13,15-16H,6-9,29H2,1-5H3;1H