N-[2-(3,4-diethoxyphenyl)ethyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-isobutyl-6,7-dimethoxy-1-oxo-isoquinoline-4-carboxamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-isobutyl-1-keto-6,7-dimethoxy-isoquinoline-4-carboxamide Formula: C28H36N2O6 MolecularWeight: 496.59524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CN(C(=O)C3=CC(=C(C=C32)OC)OC)CC(C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CN(C(=O)C3=CC(=C(C=C32)OC)OC)CC(C)C)OCC

InChI

InChI=1S/C28H36N2O6/c1-7-35-23-10-9-19(13-26(23)36-8-2)11-12-29-27(31)22-17-30(16-18(3)4)28(32)21-15-25(34-6)24(33-5)14-20(21)22/h9-10,13-15,17-18H,7-8,11-12,16H2,1-6H3,(H,29,31)