ethyl 4-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]-2-(trifluoromethyl)quinazoline-6-carboxylate

Systemtic Name: ethyl 4-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]-2-(trifluoromethyl)quinazoline-6-carboxylate Openeye Name: ethyl 4-[3-(2-oxopyrrolidin-1-yl)propylamino]-2-(trifluoromethyl)quinazoline-6-carboxylate CAS Name: 4-[3-(2-oxo-1-pyrrolidinyl)propylamino]-2-(trifluoromethyl)-6-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-oxopyrrolidin-1-yl)propylamino]-2-(trifluoromethyl)quinazoline-6-carboxylate Traditional Name: 4-[3-(2-ketopyrrolidino)propylamino]-2-(trifluoromethyl)quinazoline-6-carboxylic acid ethyl ester Formula: C19H21F3N4O3 MolecularWeight: 410.39025

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N=C2NCCCN3CCCC3=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N=C2NCCCN3CCCC3=O)C(F)(F)F

InChI

InChI=1S/C19H21F3N4O3/c1-2-29-17(28)12-6-7-14-13(11-12)16(25-18(24-14)19(20,21)22)23-8-4-10-26-9-3-5-15(26)27/h6-7,11H,2-5,8-10H2,1H3,(H,23,24,25)