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

Systemtic Name: 6,7-dimethoxy-2-(2-methylpropyl)-1-oxidanylidene-N-(4-phenoxyphenyl)isoquinoline-4-carboxamide Openeye Name: 2-isobutyl-6,7-dimethoxy-1-oxo-N-(4-phenoxyphenyl)isoquinoline-4-carboxamide CAS Name: 6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-N-(4-phenoxyphenyl)-4-isoquinolinecarboxamide IUPAC Name: 6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-N-(4-phenoxyphenyl)isoquinoline-4-carboxamide Traditional Name: 2-isobutyl-1-keto-6,7-dimethoxy-N-(4-phenoxyphenyl)isoquinoline-4-carboxamide Formula: C28H28N2O5 MolecularWeight: 472.53232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C28H28N2O5/c1-18(2)16-30-17-24(22-14-25(33-3)26(34-4)15-23(22)28(30)32)27(31)29-19-10-12-21(13-11-19)35-20-8-6-5-7-9-20/h5-15,17-18H,16H2,1-4H3,(H,29,31)