N-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[3-(1H-benzimidazol-2-yl)-1-piperidyl]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[3-(1H-benzimidazol-2-yl)-1-piperidinyl]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-[3-(1H-benzimidazol-2-yl)piperidino]-4-keto-butyl]adamantane-1-carboxamide Formula: C27H36N4O2 MolecularWeight: 448.60034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3)C5=NC6=CC=CC=C6N5

Isomeric SMILES

C1CC(CN(C1)C(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3)C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C27H36N4O2/c32-24(31-10-4-5-21(17-31)25-29-22-6-1-2-7-23(22)30-25)8-3-9-28-26(33)27-14-18-11-19(15-27)13-20(12-18)16-27/h1-2,6-7,18-21H,3-5,8-17H2,(H,28,33)(H,29,30)