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

Systemtic Name: N-[3-azanyl-2-cyclopropyl-4-(3-fluorophenyl)-1-oxidanylidene-isoquinolin-7-yl]ethanamide Openeye Name: N-[3-amino-2-cyclopropyl-4-(3-fluorophenyl)-1-oxo-7-isoquinolyl]acetamide CAS Name: N-[3-amino-2-cyclopropyl-4-(3-fluorophenyl)-1-oxo-7-isoquinolinyl]acetamide IUPAC Name: N-[3-amino-2-cyclopropyl-4-(3-fluorophenyl)-1-oxoisoquinolin-7-yl]acetamide Traditional Name: N-[3-amino-2-cyclopropyl-4-(3-fluorophenyl)-1-keto-7-isoquinolyl]acetamide Formula: C20H18FN3O2 MolecularWeight: 351.374223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18FN3O2/c1-11(25)23-14-5-8-16-17(10-14)20(26)24(15-6-7-15)19(22)18(16)12-3-2-4-13(21)9-12/h2-5,8-10,15H,6-7,22H2,1H3,(H,23,25)