tert-butyl 4-[2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]azepane-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]azepane-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]azepane-1-carboxylate CAS Name: 4-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]azepane-1-carboxylate Traditional Name: 4-[2-[4-(2-keto-3H-benzimidazol-1-yl)piperidino]ethyl]azepane-1-carboxylic acid tert-butyl ester Formula: C25H38N4O3 MolecularWeight: 442.59422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(CC1)CCN2CCC(CC2)N3C4=CC=CC=C4NC3=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(CC1)CCN2CCC(CC2)N3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C25H38N4O3/c1-25(2,3)32-24(31)28-14-6-7-19(11-18-28)10-15-27-16-12-20(13-17-27)29-22-9-5-4-8-21(22)26-23(29)30/h4-5,8-9,19-20H,6-7,10-18H2,1-3H3,(H,26,30)