1-(4-tert-butylphenyl)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]urea

Systemtic Name: 1-(4-tert-butylphenyl)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]urea Openeye Name: 1-(4-tert-butylphenyl)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]urea CAS Name: 1-(4-tert-butylphenyl)-3-[2-[4-(2-fluorophenyl)-1-piperazinyl]ethyl]urea IUPAC Name: 1-(4-tert-butylphenyl)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]urea Traditional Name: 1-(4-tert-butylphenyl)-3-[2-[4-(2-fluorophenyl)piperazino]ethyl]urea Formula: C23H31FN4O MolecularWeight: 398.516843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)NCCN2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)NCCN2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C23H31FN4O/c1-23(2,3)18-8-10-19(11-9-18)26-22(29)25-12-13-27-14-16-28(17-15-27)21-7-5-4-6-20(21)24/h4-11H,12-17H2,1-3H3,(H2,25,26,29)