[2-(7-chloranyl-1,8-naphthyridin-2-yl)-3-oxidanylidene-5-(trifluoromethyl)-1H-isoindol-1-yl] N-butylcarbamate

Systemtic Name: [2-(7-chloranyl-1,8-naphthyridin-2-yl)-3-oxidanylidene-5-(trifluoromethyl)-1H-isoindol-1-yl] N-butylcarbamate Openeye Name: [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-5-(trifluoromethyl)isoindolin-1-yl] N-butylcarbamate CAS Name: N-butylcarbamic acid [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-5-(trifluoromethyl)-1H-isoindol-1-yl] ester IUPAC Name: [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-5-(trifluoromethyl)-1H-isoindol-1-yl] N-butylcarbamate Traditional Name: N-butylcarbamic acid [2-(7-chloro-1,8-naphthyridin-2-yl)-3-keto-5-(trifluoromethyl)isoindolin-1-yl] ester Formula: C22H18ClF3N4O3 MolecularWeight: 478.85153

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)OC1C2=C(C=C(C=C2)C(F)(F)F)C(=O)N1C3=NC4=C(C=C3)C=CC(=N4)Cl

Isomeric SMILES

CCCCNC(=O)OC1C2=C(C=C(C=C2)C(F)(F)F)C(=O)N1C3=NC4=C(C=C3)C=CC(=N4)Cl

InChI

InChI=1S/C22H18ClF3N4O3/c1-2-3-10-27-21(32)33-20-14-7-6-13(22(24,25)26)11-15(14)19(31)30(20)17-9-5-12-4-8-16(23)28-18(12)29-17/h4-9,11,20H,2-3,10H2,1H3,(H,27,32)