1-[4-oxidanylidene-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]urea

Systemtic Name: 1-[4-oxidanylidene-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]urea Openeye Name: [4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]urea CAS Name: [4-oxo-4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]butyl]urea IUPAC Name: [4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]urea Traditional Name: [4-keto-4-[4-[3-(trifluoromethyl)phenyl]piperazino]butyl]urea Formula: C16H21F3N4O2 MolecularWeight: 358.35875

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CCCNC(=O)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CCCNC(=O)N

InChI

InChI=1S/C16H21F3N4O2/c17-16(18,19)12-3-1-4-13(11-12)22-7-9-23(10-8-22)14(24)5-2-6-21-15(20)25/h1,3-4,11H,2,5-10H2,(H3,20,21,25)