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

Systemtic Name: N-[3-azanyl-2-cyclopropyl-4-(3-fluorophenyl)-1-oxidanylidene-isoquinolin-7-yl]-3-methyl-butanamide Openeye Name: N-[3-amino-2-cyclopropyl-4-(3-fluorophenyl)-1-oxo-7-isoquinolyl]-3-methyl-butanamide CAS Name: N-[3-amino-2-cyclopropyl-4-(3-fluorophenyl)-1-oxo-7-isoquinolinyl]-3-methylbutanamide IUPAC Name: N-[3-amino-2-cyclopropyl-4-(3-fluorophenyl)-1-oxoisoquinolin-7-yl]-3-methylbutanamide Traditional Name: N-[3-amino-2-cyclopropyl-4-(3-fluorophenyl)-1-keto-7-isoquinolyl]-3-methyl-butyramide Formula: C23H24FN3O2 MolecularWeight: 393.453963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC2=C(C=C1)C(=C(N(C2=O)C3CC3)N)C4=CC(=CC=C4)F

Isomeric SMILES

CC(C)CC(=O)NC1=CC2=C(C=C1)C(=C(N(C2=O)C3CC3)N)C4=CC(=CC=C4)F

InChI

InChI=1S/C23H24FN3O2/c1-13(2)10-20(28)26-16-6-9-18-19(12-16)23(29)27(17-7-8-17)22(25)21(18)14-4-3-5-15(24)11-14/h3-6,9,11-13,17H,7-8,10,25H2,1-2H3,(H,26,28)