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

Systemtic Name: N-(3-azanyl-2-cyclopropyl-1-oxidanylidene-4-phenyl-isoquinolin-7-yl)-3-fluoranyl-benzamide Openeye Name: N-(3-amino-2-cyclopropyl-1-oxo-4-phenyl-7-isoquinolyl)-3-fluoro-benzamide CAS Name: N-(3-amino-2-cyclopropyl-1-oxo-4-phenyl-7-isoquinolinyl)-3-fluorobenzamide IUPAC Name: N-(3-amino-2-cyclopropyl-1-oxo-4-phenylisoquinolin-7-yl)-3-fluorobenzamide Traditional Name: N-(3-amino-2-cyclopropyl-1-keto-4-phenyl-7-isoquinolyl)-3-fluoro-benzamide Formula: C25H20FN3O2 MolecularWeight: 413.443603

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C(C3=C(C2=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)F)C5=CC=CC=C5)N

Isomeric SMILES

C1CC1N2C(=C(C3=C(C2=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)F)C5=CC=CC=C5)N

InChI

InChI=1S/C25H20FN3O2/c26-17-8-4-7-16(13-17)24(30)28-18-9-12-20-21(14-18)25(31)29(19-10-11-19)23(27)22(20)15-5-2-1-3-6-15/h1-9,12-14,19H,10-11,27H2,(H,28,30)