N-(3-chloranyl-4-fluoranyl-phenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-(4-fluorobenzyl)-1-keto-3-(4-methoxyphenyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C30H23ClF2N2O3 MolecularWeight: 532.965026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F)C(=O)NC5=CC(=C(C=C5)F)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F)C(=O)NC5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C30H23ClF2N2O3/c1-38-22-13-8-19(9-14-22)28-27(29(36)34-21-12-15-26(33)25(31)16-21)23-4-2-3-5-24(23)30(37)35(28)17-18-6-10-20(32)11-7-18/h2-16,27-28H,17H2,1H3,(H,34,36)