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

Systemtic Name: N-[3-azanyl-2-cyclopropyl-4-(4-fluorophenyl)-1-oxidanylidene-isoquinolin-7-yl]-2-methoxy-benzamide Openeye Name: N-[3-amino-2-cyclopropyl-4-(4-fluorophenyl)-1-oxo-7-isoquinolyl]-2-methoxy-benzamide CAS Name: N-[3-amino-2-cyclopropyl-4-(4-fluorophenyl)-1-oxo-7-isoquinolinyl]-2-methoxybenzamide IUPAC Name: N-[3-amino-2-cyclopropyl-4-(4-fluorophenyl)-1-oxoisoquinolin-7-yl]-2-methoxybenzamide Traditional Name: N-[3-amino-2-cyclopropyl-4-(4-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=C(C=C5)F

Isomeric SMILES

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

InChI

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