N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-6,7-diethoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-6,7-diethoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-6,7-diethoxy-2-isobutyl-1-oxo-isoquinoline-4-carboxamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-6,7-diethoxy-2-(2-methylpropyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-6,7-diethoxy-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-6,7-diethoxy-2-isobutyl-1-keto-isoquinoline-4-carboxamide Formula: C26H31ClN2O5 MolecularWeight: 486.98774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=CN(C2=O)CC(C)C)C(=O)NC3=C(C=C(C(=C3)C)Cl)OC)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=CN(C2=O)CC(C)C)C(=O)NC3=C(C=C(C(=C3)C)Cl)OC)OCC

InChI

InChI=1S/C26H31ClN2O5/c1-7-33-23-10-17-18(11-24(23)34-8-2)26(31)29(13-15(3)4)14-19(17)25(30)28-21-9-16(5)20(27)12-22(21)32-6/h9-12,14-15H,7-8,13H2,1-6H3,(H,28,30)