N-[1-[[1-(2-cyano-5-fluoranyl-phenyl)-3-oxidanylidene-piperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[1-[[1-(2-cyano-5-fluoranyl-phenyl)-3-oxidanylidene-piperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide Openeye Name: N-[1-[[1-(2-cyano-5-fluoro-phenyl)-3-oxo-4-piperidyl]carbamoyl]cyclohexyl]benzofuran-2-carboxamide CAS Name: N-[1-[[[1-(2-cyano-5-fluorophenyl)-3-oxo-4-piperidinyl]amino]-oxomethyl]cyclohexyl]-2-benzofurancarboxamide IUPAC Name: N-[1-[[1-(2-cyano-5-fluorophenyl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide Traditional Name: N-[1-[[1-(2-cyano-5-fluoro-phenyl)-3-keto-4-piperidyl]carbamoyl]cyclohexyl]coumarilamide Formula: C28H27FN4O4 MolecularWeight: 502.536783

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NC2CCN(CC2=O)C3=C(C=CC(=C3)F)C#N)NC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CCC(CC1)(C(=O)NC2CCN(CC2=O)C3=C(C=CC(=C3)F)C#N)NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C28H27FN4O4/c29-20-9-8-19(16-30)22(15-20)33-13-10-21(23(34)17-33)31-27(36)28(11-4-1-5-12-28)32-26(35)25-14-18-6-2-3-7-24(18)37-25/h2-3,6-9,14-15,21H,1,4-5,10-13,17H2,(H,31,36)(H,32,35)