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

Systemtic Name: 1-(3-ethanoylphenyl)-3-(2-methylcyclohexyl)urea; 1-[(4-fluorophenyl)methyl]piperazin-2-one Openeye Name: 1-(3-acetylphenyl)-3-(2-methylcyclohexyl)urea; 1-[(4-fluorophenyl)methyl]piperazin-2-one CAS Name: 1-(3-acetylphenyl)-3-(2-methylcyclohexyl)urea; 1-[(4-fluorophenyl)methyl]-2-piperazinone IUPAC Name: 1-(3-acetylphenyl)-3-(2-methylcyclohexyl)urea; 1-[(4-fluorophenyl)methyl]piperazin-2-one Traditional Name: 1-(3-acetylphenyl)-3-(2-methylcyclohexyl)urea; 1-(4-fluorobenzyl)piperazin-2-one Formula: C27H35FN4O3 MolecularWeight: 482.590203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O2.C11H13FN2O/c1-11-6-3-4-9-15(11)18-16(20)17-14-8-5-7-13(10-14)12(2)19;12-10-3-1-9(2-4-10)8-14-6-5-13-7-11(14)15/h5,7-8,10-11,15H,3-4,6,9H2,1-2H3,(H2,17,18,20);1-4,13H,5-8H2