N-(2,6-diethylphenyl)-2-[4-(3,7-dimethyl-7-oxidanyl-octyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[4-(3,7-dimethyl-7-oxidanyl-octyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[4-(7-hydroxy-3,7-dimethyl-octyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[4-(7-hydroxy-3,7-dimethyloctyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[4-(7-hydroxy-3,7-dimethyloctyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[4-(7-hydroxy-3,7-dimethyl-octyl)-1,4-diazepan-1-yl]acetamide Formula: C27H47N3O2 MolecularWeight: 445.68098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)CCC(C)CCCC(C)(C)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)CCC(C)CCCC(C)(C)O

InChI

InChI=1S/C27H47N3O2/c1-6-23-12-8-13-24(7-2)26(23)28-25(31)21-30-17-10-16-29(19-20-30)18-14-22(3)11-9-15-27(4,5)32/h8,12-13,22,32H,6-7,9-11,14-21H2,1-5H3,(H,28,31)