1-(4-azanyl-2-propyl-quinolin-6-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea

Systemtic Name: 1-(4-azanyl-2-propyl-quinolin-6-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea Openeye Name: 1-(4-amino-2-propyl-6-quinolyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea CAS Name: 1-(4-amino-2-propyl-6-quinolinyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea IUPAC Name: 1-(4-amino-2-propylquinolin-6-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea Traditional Name: 1-(4-amino-2-propyl-6-quinolyl)-3-[4-(trifluoromethyl)benzyl]urea Formula: C21H21F3N4O MolecularWeight: 402.41285

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C=C2)NC(=O)NCC3=CC=C(C=C3)C(F)(F)F)C(=C1)N

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2)NC(=O)NCC3=CC=C(C=C3)C(F)(F)F)C(=C1)N

InChI

InChI=1S/C21H21F3N4O/c1-2-3-15-11-18(25)17-10-16(8-9-19(17)27-15)28-20(29)26-12-13-4-6-14(7-5-13)21(22,23)24/h4-11H,2-3,12H2,1H3,(H2,25,27)(H2,26,28,29)