N-[(2S)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-4-tert-butyl-benzamide

Systemtic Name: N-[(2S)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-4-tert-butyl-benzamide Openeye Name: N-[(1S)-2-[4-(azepane-1-carbonyl)-1-piperidyl]-1-methyl-2-oxo-ethyl]-4-tert-butyl-benzamide CAS Name: N-[(2S)-1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-1-oxopropan-2-yl]-4-tert-butylbenzamide IUPAC Name: N-[(2S)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-tert-butylbenzamide Traditional Name: N-[(1S)-2-[4-(azepane-1-carbonyl)piperidino]-2-keto-1-methyl-ethyl]-4-tert-butyl-benzamide Formula: C26H39N3O3 MolecularWeight: 441.60616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)C(=O)N2CCCCCC2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)N1CCC(CC1)C(=O)N2CCCCCC2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C26H39N3O3/c1-19(27-23(30)20-9-11-22(12-10-20)26(2,3)4)24(31)29-17-13-21(14-18-29)25(32)28-15-7-5-6-8-16-28/h9-12,19,21H,5-8,13-18H2,1-4H3,(H,27,30)/t19-/m0/s1