2-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: 2-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-oxo-isoquinoline-4-carboxamide CAS Name: 2-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 2-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide Traditional Name: N-(4-fluorobenzyl)-1-keto-6,7-dimethoxy-2-p-phenetyl-isoquinoline-4-carboxamide Formula: C27H25FN2O5 MolecularWeight: 476.496203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C27H25FN2O5/c1-4-35-20-11-9-19(10-12-20)30-16-23(26(31)29-15-17-5-7-18(28)8-6-17)21-13-24(33-2)25(34-3)14-22(21)27(30)32/h5-14,16H,4,15H2,1-3H3,(H,29,31)