N-(cyanomethyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonyl-cyclohexane-1-carboxamide

Systemtic Name: N-(cyanomethyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonyl-cyclohexane-1-carboxamide Openeye Name: N-(cyanomethyl)-2-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]cyclohexanecarboxamide CAS Name: N-(cyanomethyl)-2-[[4-[(4-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-1-cyclohexanecarboxamide IUPAC Name: N-(cyanomethyl)-2-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]cyclohexane-1-carboxamide Traditional Name: N-(cyanomethyl)-2-[4-(4-fluorobenzyl)piperazine-1-carbonyl]cyclohexanecarboxamide Formula: C21H27FN4O2 MolecularWeight: 386.463083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC#N)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

C1CCC(C(C1)C(=O)NCC#N)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H27FN4O2/c22-17-7-5-16(6-8-17)15-25-11-13-26(14-12-25)21(28)19-4-2-1-3-18(19)20(27)24-10-9-23/h5-8,18-19H,1-4,10-15H2,(H,24,27)