3-[3,4-bis(fluoranyl)phenyl]-3-ethoxy-2-(oxidanylamino)-4-propyl-4H-isoquinolin-1-one; methanamide

Systemtic Name: 3-[3,4-bis(fluoranyl)phenyl]-3-ethoxy-2-(oxidanylamino)-4-propyl-4H-isoquinolin-1-one; methanamide Openeye Name: 3-(3,4-difluorophenyl)-3-ethoxy-2-(hydroxyamino)-4-propyl-4H-isoquinolin-1-one; formamide CAS Name: 3-(3,4-difluorophenyl)-3-ethoxy-2-(hydroxyamino)-4-propyl-4H-isoquinolin-1-one; formamide IUPAC Name: 3-(3,4-difluorophenyl)-3-ethoxy-2-(hydroxyamino)-4-propyl-4H-isoquinolin-1-one; formamide Traditional Name: 3-(3,4-difluorophenyl)-3-ethoxy-2-(hydroxyamino)-4-propyl-4H-isoquinolin-1-one; formamide Formula: C21H25F2N3O4 MolecularWeight: 421.437706

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2=CC=CC=C2C(=O)N(C1(C3=CC(=C(C=C3)F)F)OCC)NO.C(=O)N

Isomeric SMILES

CCCC1C2=CC=CC=C2C(=O)N(C1(C3=CC(=C(C=C3)F)F)OCC)NO.C(=O)N

InChI

InChI=1S/C20H22F2N2O3.CH3NO/c1-3-7-16-14-8-5-6-9-15(14)19(25)24(23-26)20(16,27-4-2)13-10-11-17(21)18(22)12-13;2-1-3/h5-6,8-12,16,23,26H,3-4,7H2,1-2H3;1H,(H2,2,3)