3-[3,5-bis(trifluoromethyl)phenyl]-1-[1-(7-chloranyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)propyl]-1-(phenylmethyl)urea

Systemtic Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-[1-(7-chloranyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)propyl]-1-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[3,5-bis(trifluoromethyl)phenyl]-1-[1-(7-chloro-3-ethyl-4-oxo-quinazolin-2-yl)propyl]urea CAS Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-[1-(7-chloro-3-ethyl-4-oxo-2-quinazolinyl)propyl]-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[3,5-bis(trifluoromethyl)phenyl]-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]urea Traditional Name: 1-benzyl-3-[3,5-bis(trifluoromethyl)phenyl]-1-[1-(7-chloro-3-ethyl-4-keto-quinazolin-2-yl)propyl]urea Formula: C29H25ClF6N4O2 MolecularWeight: 610.977819

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC)N(CC3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCC(C1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC)N(CC3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C29H25ClF6N4O2/c1-3-24(25-38-23-15-20(30)10-11-22(23)26(41)39(25)4-2)40(16-17-8-6-5-7-9-17)27(42)37-21-13-18(28(31,32)33)12-19(14-21)29(34,35)36/h5-15,24H,3-4,16H2,1-2H3,(H,37,42)