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

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

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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=C4F

Isomeric SMILES

CC(C)CC(=O)NC1=CC2=C(C=C1)C(=C(N(C2=O)C3CC3)N)C4=CC=CC=C4F

InChI

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