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

Systemtic Name: N-[3-azanyl-2-cyclopropyl-4-(3-fluorophenyl)-1-oxidanylidene-isoquinolin-7-yl]-2-methyl-benzamide Openeye Name: N-[3-amino-2-cyclopropyl-4-(3-fluorophenyl)-1-oxo-7-isoquinolyl]-2-methyl-benzamide CAS Name: N-[3-amino-2-cyclopropyl-4-(3-fluorophenyl)-1-oxo-7-isoquinolinyl]-2-methylbenzamide IUPAC Name: N-[3-amino-2-cyclopropyl-4-(3-fluorophenyl)-1-oxoisoquinolin-7-yl]-2-methylbenzamide Traditional Name: N-[3-amino-2-cyclopropyl-4-(3-fluorophenyl)-1-keto-7-isoquinolyl]-2-methyl-benzamide Formula: C26H22FN3O2 MolecularWeight: 427.470183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)C(=C(N(C3=O)C4CC4)N)C5=CC(=CC=C5)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)C(=C(N(C3=O)C4CC4)N)C5=CC(=CC=C5)F

InChI

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