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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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