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

Systemtic Name: N-[3-azanyl-2-cyclopropyl-4-(3-fluorophenyl)-1-oxidanylidene-isoquinolin-7-yl]-2-methoxy-benzamide Openeye Name: N-[3-amino-2-cyclopropyl-4-(3-fluorophenyl)-1-oxo-7-isoquinolyl]-2-methoxy-benzamide CAS Name: N-[3-amino-2-cyclopropyl-4-(3-fluorophenyl)-1-oxo-7-isoquinolinyl]-2-methoxybenzamide IUPAC Name: N-[3-amino-2-cyclopropyl-4-(3-fluorophenyl)-1-oxoisoquinolin-7-yl]-2-methoxybenzamide Traditional Name: N-[3-amino-2-cyclopropyl-4-(3-fluorophenyl)-1-keto-7-isoquinolyl]-2-methoxy-benzamide Formula: C26H22FN3O3 MolecularWeight: 443.469583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)C(=C(N(C3=O)C4CC4)N)C5=CC(=CC=C5)F

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)C(=C(N(C3=O)C4CC4)N)C5=CC(=CC=C5)F

InChI

InChI=1S/C26H22FN3O3/c1-33-22-8-3-2-7-20(22)25(31)29-17-9-12-19-21(14-17)26(32)30(18-10-11-18)24(28)23(19)15-5-4-6-16(27)13-15/h2-9,12-14,18H,10-11,28H2,1H3,(H,29,31)