N-(3-ethoxypropyl)-6,7-dimethoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-(3-ethoxypropyl)-6,7-dimethoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-(3-ethoxypropyl)-2-isobutyl-6,7-dimethoxy-1-oxo-isoquinoline-4-carboxamide CAS Name: N-(3-ethoxypropyl)-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-(3-ethoxypropyl)-6,7-dimethoxy-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-(3-ethoxypropyl)-2-isobutyl-1-keto-6,7-dimethoxy-isoquinoline-4-carboxamide Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=CN(C(=O)C2=CC(=C(C=C21)OC)OC)CC(C)C

Isomeric SMILES

CCOCCCNC(=O)C1=CN(C(=O)C2=CC(=C(C=C21)OC)OC)CC(C)C

InChI

InChI=1S/C21H30N2O5/c1-6-28-9-7-8-22-20(24)17-13-23(12-14(2)3)21(25)16-11-19(27-5)18(26-4)10-15(16)17/h10-11,13-14H,6-9,12H2,1-5H3,(H,22,24)