1-[1-[3-(2,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-1-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[1-[3-(2,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-1-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]urea Openeye Name: 1-[1-[3-(2,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]ethyl]-1-isopentyl-3-[2-(trifluoromethyl)phenyl]urea CAS Name: 1-[1-[3-(2,4-dimethylphenyl)-4-oxo-2-quinazolinyl]ethyl]-1-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]urea Traditional Name: 1-[1-[3-(2,4-dimethylphenyl)-4-keto-quinazolin-2-yl]ethyl]-1-isoamyl-3-[2-(trifluoromethyl)phenyl]urea Formula: C31H33F3N4O2 MolecularWeight: 550.61453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)N(CCC(C)C)C(=O)NC4=CC=CC=C4C(F)(F)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)N(CCC(C)C)C(=O)NC4=CC=CC=C4C(F)(F)F)C

InChI

InChI=1S/C31H33F3N4O2/c1-19(2)16-17-37(30(40)36-26-13-9-7-11-24(26)31(32,33)34)22(5)28-35-25-12-8-6-10-23(25)29(39)38(28)27-15-14-20(3)18-21(27)4/h6-15,18-19,22H,16-17H2,1-5H3,(H,36,40)