N-[3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-oxidanylidene-propyl]-4-tert-butyl-benzamide

Systemtic Name: N-[3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-oxidanylidene-propyl]-4-tert-butyl-benzamide Openeye Name: N-[3-[4-(azepane-1-carbonyl)-1-piperidyl]-3-oxo-propyl]-4-tert-butyl-benzamide CAS Name: N-[3-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-oxopropyl]-4-tert-butylbenzamide IUPAC Name: N-[3-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-4-tert-butylbenzamide Traditional Name: N-[3-[4-(azepane-1-carbonyl)piperidino]-3-keto-propyl]-4-tert-butyl-benzamide Formula: C26H39N3O3 MolecularWeight: 441.60616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C26H39N3O3/c1-26(2,3)22-10-8-20(9-11-22)24(31)27-15-12-23(30)28-18-13-21(14-19-28)25(32)29-16-6-4-5-7-17-29/h8-11,21H,4-7,12-19H2,1-3H3,(H,27,31)