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

Systemtic Name: N-[3-azanyl-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxidanylidene-isoquinolin-7-yl]butanamide Openeye Name: N-[3-amino-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-7-isoquinolyl]butanamide CAS Name: N-[3-amino-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-7-isoquinolinyl]butanamide IUPAC Name: N-[3-amino-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxoisoquinolin-7-yl]butanamide Traditional Name: N-[3-amino-4-(2-fluorophenyl)-1-keto-2-(2-methoxyethyl)-7-isoquinolyl]butyramide Formula: C22H24FN3O3 MolecularWeight: 397.442663

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC2=C(C=C1)C(=C(N(C2=O)CCOC)N)C3=CC=CC=C3F

Isomeric SMILES

CCCC(=O)NC1=CC2=C(C=C1)C(=C(N(C2=O)CCOC)N)C3=CC=CC=C3F

InChI

InChI=1S/C22H24FN3O3/c1-3-6-19(27)25-14-9-10-15-17(13-14)22(28)26(11-12-29-2)21(24)20(15)16-7-4-5-8-18(16)23/h4-5,7-10,13H,3,6,11-12,24H2,1-2H3,(H,25,27)