3-[3,5-bis(trifluoromethyl)phenyl]-1-butyl-1-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxidanylidene-ethyl]urea

Systemtic Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-butyl-1-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxidanylidene-ethyl]urea Openeye Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-butyl-1-[2-oxo-2-[4-(p-tolyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethyl]urea CAS Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-butyl-1-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea IUPAC Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-butyl-1-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea Traditional Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-butyl-1-[2-keto-2-[4-(p-tolyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethyl]urea Formula: C33H30F6N4O2 MolecularWeight: 628.607319

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N1C(C2=CC=CN2C3=CC=CC=C31)C4=CC=C(C=C4)C)C(=O)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCCCN(CC(=O)N1C(C2=CC=CN2C3=CC=CC=C31)C4=CC=C(C=C4)C)C(=O)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C33H30F6N4O2/c1-3-4-15-41(31(45)40-25-18-23(32(34,35)36)17-24(19-25)33(37,38)39)20-29(44)43-27-9-6-5-8-26(27)42-16-7-10-28(42)30(43)22-13-11-21(2)12-14-22/h5-14,16-19,30H,3-4,15,20H2,1-2H3,(H,40,45)