N-(1,3-benzodioxol-5-yl)-6,7-diethoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-6,7-diethoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-6,7-diethoxy-2-isobutyl-1-oxo-isoquinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-6,7-diethoxy-2-(2-methylpropyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-6,7-diethoxy-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-6,7-diethoxy-2-isobutyl-1-keto-isoquinoline-4-carboxamide Formula: C25H28N2O6 MolecularWeight: 452.49962

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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=CC4=C(C=C3)OCO4)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=CN(C2=O)CC(C)C)C(=O)NC3=CC4=C(C=C3)OCO4)OCC

InChI

InChI=1S/C25H28N2O6/c1-5-30-22-10-17-18(11-23(22)31-6-2)25(29)27(12-15(3)4)13-19(17)24(28)26-16-7-8-20-21(9-16)33-14-32-20/h7-11,13,15H,5-6,12,14H2,1-4H3,(H,26,28)