cyanomethylcarbamic acid; cyclohexyl-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: cyanomethylcarbamic acid; cyclohexyl-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone Openeye Name: cyanomethylcarbamic acid; cyclohexyl-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone CAS Name: cyanomethylcarbamic acid; cyclohexyl-[4-[(4-fluorophenyl)methyl]-1-piperazinyl]methanone IUPAC Name: cyanomethylcarbamic acid; cyclohexyl-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone Traditional Name: cyanomethylcarbamic acid; cyclohexyl-[4-(4-fluorobenzyl)piperazino]methanone Formula: C21H29FN4O3 MolecularWeight: 404.478363

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)F.C(C#N)NC(=O)O

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)F.C(C#N)NC(=O)O

InChI

InChI=1S/C18H25FN2O.C3H4N2O2/c19-17-8-6-15(7-9-17)14-20-10-12-21(13-11-20)18(22)16-4-2-1-3-5-16;4-1-2-5-3(6)7/h6-9,16H,1-5,10-14H2;5H,2H2,(H,6,7)