1-[(4-fluorophenyl)methyl]piperazin-2-one; 1-(2-methylcyclohexyl)-3-phenyl-urea

Systemtic Name: 1-[(4-fluorophenyl)methyl]piperazin-2-one; 1-(2-methylcyclohexyl)-3-phenyl-urea Openeye Name: 1-[(4-fluorophenyl)methyl]piperazin-2-one; 1-(2-methylcyclohexyl)-3-phenyl-urea CAS Name: 1-[(4-fluorophenyl)methyl]-2-piperazinone; 1-(2-methylcyclohexyl)-3-phenylurea IUPAC Name: 1-[(4-fluorophenyl)methyl]piperazin-2-one; 1-(2-methylcyclohexyl)-3-phenylurea Traditional Name: 1-(4-fluorobenzyl)piperazin-2-one; 1-(2-methylcyclohexyl)-3-phenyl-urea Formula: C25H33FN4O2 MolecularWeight: 440.553523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)NC2=CC=CC=C2.C1CN(C(=O)CN1)CC2=CC=C(C=C2)F

Isomeric SMILES

CC1CCCCC1NC(=O)NC2=CC=CC=C2.C1CN(C(=O)CN1)CC2=CC=C(C=C2)F

InChI

InChI=1S/C14H20N2O.C11H13FN2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12;12-10-3-1-9(2-4-10)8-14-6-5-13-7-11(14)15/h2-4,8-9,11,13H,5-7,10H2,1H3,(H2,15,16,17);1-4,13H,5-8H2