N-(3-chloranyl-4-fluoranyl-phenyl)-2-cyclohexyl-3-(4-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-cyclohexyl-3-(4-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-cyclohexyl-1-keto-3-(4-methoxyphenyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C29H28ClFN2O3 MolecularWeight: 506.995623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C4CCCCC4)C(=O)NC5=CC(=C(C=C5)F)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C4CCCCC4)C(=O)NC5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C29H28ClFN2O3/c1-36-21-14-11-18(12-15-21)27-26(28(34)32-19-13-16-25(31)24(30)17-19)22-9-5-6-10-23(22)29(35)33(27)20-7-3-2-4-8-20/h5-6,9-17,20,26-27H,2-4,7-8H2,1H3,(H,32,34)