1-[4-(4-octanoylpiperazin-1-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[4-(4-octanoylpiperazin-1-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-[4-(4-octanoylpiperazin-1-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-[4-[4-(1-oxooctyl)-1-piperazinyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[4-(4-octanoylpiperazin-1-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-[4-(4-caprylylpiperazino)phenyl]-3-[3-(trifluoromethyl)phenyl]urea Formula: C26H33F3N4O2 MolecularWeight: 490.56103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33F3N4O2/c1-2-3-4-5-6-10-24(34)33-17-15-32(16-18-33)23-13-11-21(12-14-23)30-25(35)31-22-9-7-8-20(19-22)26(27,28)29/h7-9,11-14,19H,2-6,10,15-18H2,1H3,(H2,30,31,35)