4-[[(3-chlorophenyl)-isoquinolin-4-yl-amino]methyl]-7,8-bis(fluoranyl)-1H-quinolin-2-one

Systemtic Name: 4-[[(3-chlorophenyl)-isoquinolin-4-yl-amino]methyl]-7,8-bis(fluoranyl)-1H-quinolin-2-one Openeye Name: 4-[[3-chloro-N-(4-isoquinolyl)anilino]methyl]-7,8-difluoro-1H-quinolin-2-one CAS Name: 4-[[3-chloro-N-(4-isoquinolinyl)anilino]methyl]-7,8-difluoro-1H-quinolin-2-one IUPAC Name: 4-[(3-chloro-N-isoquinolin-4-ylanilino)methyl]-7,8-difluoro-1H-quinolin-2-one Traditional Name: 4-[[3-chloro-N-(4-isoquinolyl)anilino]methyl]-7,8-difluoro-carbostyril Formula: C25H16ClF2N3O MolecularWeight: 447.863846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC=C2N(CC3=CC(=O)NC4=C3C=CC(=C4F)F)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=NC=C2N(CC3=CC(=O)NC4=C3C=CC(=C4F)F)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H16ClF2N3O/c26-17-5-3-6-18(11-17)31(22-13-29-12-15-4-1-2-7-19(15)22)14-16-10-23(32)30-25-20(16)8-9-21(27)24(25)28/h1-13H,14H2,(H,30,32)