3-(4-ethoxyphenyl)-N-(3-fluoranyl-4-methyl-phenyl)-2-(2-morpholin-4-ylethyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 3-(4-ethoxyphenyl)-N-(3-fluoranyl-4-methyl-phenyl)-2-(2-morpholin-4-ylethyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 3-(4-ethoxyphenyl)-N-(3-fluoro-4-methyl-phenyl)-2-(2-morpholinoethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 3-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-2-[2-(4-morpholinyl)ethyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 3-(4-ethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-2-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-1-keto-2-(2-morpholinoethyl)-3-p-phenetyl-3,4-dihydroisoquinoline-4-carboxamide Formula: C31H34FN3O4 MolecularWeight: 531.617763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CCN4CCOCC4)C(=O)NC5=CC(=C(C=C5)C)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CCN4CCOCC4)C(=O)NC5=CC(=C(C=C5)C)F

InChI

InChI=1S/C31H34FN3O4/c1-3-39-24-12-9-22(10-13-24)29-28(30(36)33-23-11-8-21(2)27(32)20-23)25-6-4-5-7-26(25)31(37)35(29)15-14-34-16-18-38-19-17-34/h4-13,20,28-29H,3,14-19H2,1-2H3,(H,33,36)