N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-3-(4-fluorophenyl)-1-keto-2-(2-methoxyethyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C27H26ClFN2O4 MolecularWeight: 496.957743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2C(N(C(=O)C3=CC=CC=C23)CCOC)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2C(N(C(=O)C3=CC=CC=C23)CCOC)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H26ClFN2O4/c1-16-14-22(23(35-3)15-21(16)28)30-26(32)24-19-6-4-5-7-20(19)27(33)31(12-13-34-2)25(24)17-8-10-18(29)11-9-17/h4-11,14-15,24-25H,12-13H2,1-3H3,(H,30,32)