N-[3-azanyl-2-(2-methoxyethyl)-1-oxidanylidene-4-phenyl-isoquinolin-7-yl]-3-fluoranyl-benzamide

Systemtic Name: N-[3-azanyl-2-(2-methoxyethyl)-1-oxidanylidene-4-phenyl-isoquinolin-7-yl]-3-fluoranyl-benzamide Openeye Name: N-[3-amino-2-(2-methoxyethyl)-1-oxo-4-phenyl-7-isoquinolyl]-3-fluoro-benzamide CAS Name: N-[3-amino-2-(2-methoxyethyl)-1-oxo-4-phenyl-7-isoquinolinyl]-3-fluorobenzamide IUPAC Name: N-[3-amino-2-(2-methoxyethyl)-1-oxo-4-phenylisoquinolin-7-yl]-3-fluorobenzamide Traditional Name: N-[3-amino-1-keto-2-(2-methoxyethyl)-4-phenyl-7-isoquinolyl]-3-fluoro-benzamide Formula: C25H22FN3O3 MolecularWeight: 431.458883

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=C(C2=C(C1=O)C=C(C=C2)NC(=O)C3=CC(=CC=C3)F)C4=CC=CC=C4)N

Isomeric SMILES

COCCN1C(=C(C2=C(C1=O)C=C(C=C2)NC(=O)C3=CC(=CC=C3)F)C4=CC=CC=C4)N

InChI

InChI=1S/C25H22FN3O3/c1-32-13-12-29-23(27)22(16-6-3-2-4-7-16)20-11-10-19(15-21(20)25(29)31)28-24(30)17-8-5-9-18(26)14-17/h2-11,14-15H,12-13,27H2,1H3,(H,28,30)