ethyl 4-(4-phenylbutan-2-ylamino)-2-(trifluoromethyl)quinazoline-6-carboxylate

Systemtic Name: ethyl 4-(4-phenylbutan-2-ylamino)-2-(trifluoromethyl)quinazoline-6-carboxylate Openeye Name: ethyl 4-[(1-methyl-3-phenyl-propyl)amino]-2-(trifluoromethyl)quinazoline-6-carboxylate CAS Name: 4-(4-phenylbutan-2-ylamino)-2-(trifluoromethyl)-6-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-phenylbutan-2-ylamino)-2-(trifluoromethyl)quinazoline-6-carboxylate Traditional Name: 4-[(1-methyl-3-phenyl-propyl)amino]-2-(trifluoromethyl)quinazoline-6-carboxylic acid ethyl ester Formula: C22H22F3N3O2 MolecularWeight: 417.42419

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N=C2NC(C)CCC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N=C2NC(C)CCC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H22F3N3O2/c1-3-30-20(29)16-11-12-18-17(13-16)19(28-21(27-18)22(23,24)25)26-14(2)9-10-15-7-5-4-6-8-15/h4-8,11-14H,3,9-10H2,1-2H3,(H,26,27,28)