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

Systemtic Name: N-[3-azanyl-2-cyclopropyl-4-(3-fluorophenyl)-1-oxidanylidene-isoquinolin-7-yl]-2-fluoranyl-benzamide Openeye Name: N-[3-amino-2-cyclopropyl-4-(3-fluorophenyl)-1-oxo-7-isoquinolyl]-2-fluoro-benzamide CAS Name: N-[3-amino-2-cyclopropyl-4-(3-fluorophenyl)-1-oxo-7-isoquinolinyl]-2-fluorobenzamide IUPAC Name: N-[3-amino-2-cyclopropyl-4-(3-fluorophenyl)-1-oxoisoquinolin-7-yl]-2-fluorobenzamide Traditional Name: N-[3-amino-2-cyclopropyl-4-(3-fluorophenyl)-1-keto-7-isoquinolyl]-2-fluoro-benzamide Formula: C25H19F2N3O2 MolecularWeight: 431.434066

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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=C4F)C5=CC(=CC=C5)F)N

Isomeric SMILES

C1CC1N2C(=C(C3=C(C2=O)C=C(C=C3)NC(=O)C4=CC=CC=C4F)C5=CC(=CC=C5)F)N

InChI

InChI=1S/C25H19F2N3O2/c26-15-5-3-4-14(12-15)22-18-11-8-16(29-24(31)19-6-1-2-7-21(19)27)13-20(18)25(32)30(23(22)28)17-9-10-17/h1-8,11-13,17H,9-10,28H2,(H,29,31)