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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-(4-fluorobenzyl)-1-keto-3-(4-methoxyphenyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C31H26ClFN2O4 MolecularWeight: 545.000543

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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)OC)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)OC)Cl

InChI

InChI=1S/C31H26ClFN2O4/c1-38-23-14-9-20(10-15-23)29-28(30(36)34-22-13-16-27(39-2)26(32)17-22)24-5-3-4-6-25(24)31(37)35(29)18-19-7-11-21(33)12-8-19/h3-17,28-29H,18H2,1-2H3,(H,34,36)