N-(4-ethoxyphenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-(4-ethoxyphenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-(4-ethoxyphenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-(4-ethoxyphenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-(4-ethoxyphenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 3-(4-fluorophenyl)-1-keto-2-(2-methoxyethyl)-N-p-phenetyl-3,4-dihydroisoquinoline-4-carboxamide Formula: C27H27FN2O4 MolecularWeight: 462.512683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2C(N(C(=O)C3=CC=CC=C23)CCOC)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2C(N(C(=O)C3=CC=CC=C23)CCOC)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H27FN2O4/c1-3-34-21-14-12-20(13-15-21)29-26(31)24-22-6-4-5-7-23(22)27(32)30(16-17-33-2)25(24)18-8-10-19(28)11-9-18/h4-15,24-25H,3,16-17H2,1-2H3,(H,29,31)