N-[3-azanyl-2-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)-1-oxidanylidene-isoquinolin-7-yl]ethanamide

Systemtic Name: N-[3-azanyl-2-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)-1-oxidanylidene-isoquinolin-7-yl]ethanamide Openeye Name: N-[3-amino-2-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)-1-oxo-7-isoquinolyl]acetamide CAS Name: N-[3-amino-2-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)-1-oxo-7-isoquinolinyl]acetamide IUPAC Name: N-[3-amino-2-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)-1-oxoisoquinolin-7-yl]acetamide Traditional Name: N-[3-amino-2-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)-1-keto-7-isoquinolyl]acetamide Formula: C22H25FN4O2 MolecularWeight: 396.457903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN4O2/c1-14(28)25-15-9-10-16-18(13-15)22(29)27(12-6-11-26(2)3)21(24)20(16)17-7-4-5-8-19(17)23/h4-5,7-10,13H,6,11-12,24H2,1-3H3,(H,25,28)