N-[2-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]ethyl]-1-oxidanylidene-2H-isoquinoline-3-carboxamide

Systemtic Name: N-[2-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]ethyl]-1-oxidanylidene-2H-isoquinoline-3-carboxamide Openeye Name: N-[2-[4-(difluoromethoxy)-3-methoxy-phenyl]ethyl]-1-oxo-2H-isoquinoline-3-carboxamide CAS Name: N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1-oxo-2H-isoquinoline-3-carboxamide IUPAC Name: N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1-oxo-2H-isoquinoline-3-carboxamide Traditional Name: N-[2-[4-(difluoromethoxy)-3-methoxy-phenyl]ethyl]-1-keto-2H-isoquinoline-3-carboxamide Formula: C20H18F2N2O4 MolecularWeight: 388.364726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCNC(=O)C2=CC3=CC=CC=C3C(=O)N2)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)CCNC(=O)C2=CC3=CC=CC=C3C(=O)N2)OC(F)F

InChI

InChI=1S/C20H18F2N2O4/c1-27-17-10-12(6-7-16(17)28-20(21)22)8-9-23-19(26)15-11-13-4-2-3-5-14(13)18(25)24-15/h2-7,10-11,20H,8-9H2,1H3,(H,23,26)(H,24,25)