N-[3-azanyl-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxidanylidene-isoquinolin-7-yl]cyclopropanecarboxamide

Systemtic Name: N-[3-azanyl-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxidanylidene-isoquinolin-7-yl]cyclopropanecarboxamide Openeye Name: N-[3-amino-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-7-isoquinolyl]cyclopropanecarboxamide CAS Name: N-[3-amino-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-7-isoquinolinyl]cyclopropanecarboxamide IUPAC Name: N-[3-amino-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxoisoquinolin-7-yl]cyclopropanecarboxamide Traditional Name: N-[3-amino-4-(2-fluorophenyl)-1-keto-2-(2-methoxyethyl)-7-isoquinolyl]cyclopropanecarboxamide Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=C(C2=C(C1=O)C=C(C=C2)NC(=O)C3CC3)C4=CC=CC=C4F)N

Isomeric SMILES

COCCN1C(=C(C2=C(C1=O)C=C(C=C2)NC(=O)C3CC3)C4=CC=CC=C4F)N

InChI

InChI=1S/C22H22FN3O3/c1-29-11-10-26-20(24)19(16-4-2-3-5-18(16)23)15-9-8-14(12-17(15)22(26)28)25-21(27)13-6-7-13/h2-5,8-9,12-13H,6-7,10-11,24H2,1H3,(H,25,27)