N-[(3S)-1-(4-cyanopiperidin-1-yl)carbonylpiperidin-3-yl]-4-oxidanyl-adamantane-1-carboxamide

Systemtic Name: N-[(3S)-1-(4-cyanopiperidin-1-yl)carbonylpiperidin-3-yl]-4-oxidanyl-adamantane-1-carboxamide Openeye Name: N-[(3S)-1-(4-cyanopiperidine-1-carbonyl)-3-piperidyl]-4-hydroxy-adamantane-1-carboxamide CAS Name: N-[(3S)-1-[(4-cyano-1-piperidinyl)-oxomethyl]-3-piperidinyl]-4-hydroxy-1-adamantanecarboxamide IUPAC Name: N-[(3S)-1-(4-cyanopiperidine-1-carbonyl)piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide Traditional Name: N-[(3S)-1-(4-cyanopiperidine-1-carbonyl)-3-piperidyl]-4-hydroxy-adamantane-1-carboxamide Formula: C23H34N4O3 MolecularWeight: 414.54106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)N2CCC(CC2)C#N)NC(=O)C34CC5CC(C3)C(C(C5)C4)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)N2CCC(CC2)C#N)NC(=O)C34CC5CC(C3)C(C(C5)C4)O

InChI

InChI=1S/C23H34N4O3/c24-13-15-3-6-26(7-4-15)22(30)27-5-1-2-19(14-27)25-21(29)23-10-16-8-17(11-23)20(28)18(9-16)12-23/h15-20,28H,1-12,14H2,(H,25,29)/t16?,17?,18?,19-,20?,23?/m0/s1