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

Systemtic Name: N-[3-azanyl-2-cyclopropyl-4-(3-methylphenyl)-1-oxidanylidene-isoquinolin-7-yl]-2-fluoranyl-benzamide Openeye Name: N-[3-amino-2-cyclopropyl-4-(m-tolyl)-1-oxo-7-isoquinolyl]-2-fluoro-benzamide CAS Name: N-[3-amino-2-cyclopropyl-4-(3-methylphenyl)-1-oxo-7-isoquinolinyl]-2-fluorobenzamide IUPAC Name: N-[3-amino-2-cyclopropyl-4-(3-methylphenyl)-1-oxoisoquinolin-7-yl]-2-fluorobenzamide Traditional Name: N-[3-amino-2-cyclopropyl-1-keto-4-(m-tolyl)-7-isoquinolyl]-2-fluoro-benzamide Formula: C26H22FN3O2 MolecularWeight: 427.470183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4F)C5CC5)N

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4F)C5CC5)N

InChI

InChI=1S/C26H22FN3O2/c1-15-5-4-6-16(13-15)23-19-12-9-17(29-25(31)20-7-2-3-8-22(20)27)14-21(19)26(32)30(24(23)28)18-10-11-18/h2-9,12-14,18H,10-11,28H2,1H3,(H,29,31)