4-(azepan-1-ylcarbonyl)-2-[2,4-bis(fluoranyl)phenyl]isoquinolin-1-one

Systemtic Name: 4-(azepan-1-ylcarbonyl)-2-[2,4-bis(fluoranyl)phenyl]isoquinolin-1-one Openeye Name: 4-(azepane-1-carbonyl)-2-(2,4-difluorophenyl)isoquinolin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-2-(2,4-difluorophenyl)-1-isoquinolinone IUPAC Name: 4-(azepane-1-carbonyl)-2-(2,4-difluorophenyl)isoquinolin-1-one Traditional Name: 4-(azepane-1-carbonyl)-2-(2,4-difluorophenyl)isocarbostyril Formula: C22H20F2N2O2 MolecularWeight: 382.403206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)F)F

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C22H20F2N2O2/c23-15-9-10-20(19(24)13-15)26-14-18(16-7-3-4-8-17(16)22(26)28)21(27)25-11-5-1-2-6-12-25/h3-4,7-10,13-14H,1-2,5-6,11-12H2