N-[(6-cyanopyridin-3-yl)methyl]-1-(2-cyclohexyl-2-oxidanyl-ethanoyl)pyrrolidine-2-carboxamide; ethanoic acid

Systemtic Name: N-[(6-cyanopyridin-3-yl)methyl]-1-(2-cyclohexyl-2-oxidanyl-ethanoyl)pyrrolidine-2-carboxamide; ethanoic acid Openeye Name: acetic acid; N-[(6-cyano-3-pyridyl)methyl]-1-(2-cyclohexyl-2-hydroxy-acetyl)pyrrolidine-2-carboxamide CAS Name: acetic acid; N-[(6-cyano-3-pyridinyl)methyl]-1-(2-cyclohexyl-2-hydroxy-1-oxoethyl)-2-pyrrolidinecarboxamide IUPAC Name: acetic acid; N-[(6-cyanopyridin-3-yl)methyl]-1-(2-cyclohexyl-2-hydroxyacetyl)pyrrolidine-2-carboxamide Traditional Name: acetic acid; N-[(6-cyano-3-pyridyl)methyl]-1-(2-cyclohexyl-2-hydroxy-acetyl)pyrrolidine-2-carboxamide Formula: C22H30N4O5 MolecularWeight: 430.4974

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CCC(CC1)C(C(=O)N2CCCC2C(=O)NCC3=CN=C(C=C3)C#N)O

Isomeric SMILES

CC(=O)O.C1CCC(CC1)C(C(=O)N2CCCC2C(=O)NCC3=CN=C(C=C3)C#N)O

InChI

InChI=1S/C20H26N4O3.C2H4O2/c21-11-16-9-8-14(12-22-16)13-23-19(26)17-7-4-10-24(17)20(27)18(25)15-5-2-1-3-6-15;1-2(3)4/h8-9,12,15,17-18,25H,1-7,10,13H2,(H,23,26);1H3,(H,3,4)