N-[3-(2-cyano-4-fluoranyl-phenyl)-1-(4-cyclohexyl-4-ethanoyl-piperidin-1-yl)-1-oxidanylidene-propan-2-yl]-4-methyl-piperazine-2-carboxamide

Systemtic Name: N-[3-(2-cyano-4-fluoranyl-phenyl)-1-(4-cyclohexyl-4-ethanoyl-piperidin-1-yl)-1-oxidanylidene-propan-2-yl]-4-methyl-piperazine-2-carboxamide Openeye Name: N-[2-(4-acetyl-4-cyclohexyl-1-piperidyl)-1-[(2-cyano-4-fluoro-phenyl)methyl]-2-oxo-ethyl]-4-methyl-piperazine-2-carboxamide CAS Name: N-[1-(4-acetyl-4-cyclohexyl-1-piperidinyl)-3-(2-cyano-4-fluorophenyl)-1-oxopropan-2-yl]-4-methyl-2-piperazinecarboxamide IUPAC Name: N-[1-(4-acetyl-4-cyclohexylpiperidin-1-yl)-3-(2-cyano-4-fluorophenyl)-1-oxopropan-2-yl]-4-methylpiperazine-2-carboxamide Traditional Name: N-[2-(4-acetyl-4-cyclohexyl-piperidino)-1-(2-cyano-4-fluoro-benzyl)-2-keto-ethyl]-4-methyl-piperazine-2-carboxamide Formula: C29H40FN5O3 MolecularWeight: 525.658003

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCN(CC1)C(=O)C(CC2=C(C=C(C=C2)F)C#N)NC(=O)C3CN(CCN3)C)C4CCCCC4

Isomeric SMILES

CC(=O)C1(CCN(CC1)C(=O)C(CC2=C(C=C(C=C2)F)C#N)NC(=O)C3CN(CCN3)C)C4CCCCC4

InChI

InChI=1S/C29H40FN5O3/c1-20(36)29(23-6-4-3-5-7-23)10-13-35(14-11-29)28(38)25(17-21-8-9-24(30)16-22(21)18-31)33-27(37)26-19-34(2)15-12-32-26/h8-9,16,23,25-26,32H,3-7,10-15,17,19H2,1-2H3,(H,33,37)