1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-[4-(1-oxohexyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(4-caproylpiperazino)phenyl]urea Formula: C25H28F6N4O2 MolecularWeight: 530.505839

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C25H28F6N4O2/c1-2-3-4-5-22(36)35-12-10-34(11-13-35)21-8-6-19(7-9-21)32-23(37)33-20-15-17(24(26,27)28)14-18(16-20)25(29,30)31/h6-9,14-16H,2-5,10-13H2,1H3,(H2,32,33,37)