(2S)-2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-N-(2,5-dimethylphenyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-N-(2,5-dimethylphenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(azepane-1-carbonyl)-1-piperidyl]-N-(2,5-dimethylphenyl)-2-phenyl-acetamide CAS Name: (2S)-2-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-N-(2,5-dimethylphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,5-dimethylphenyl)-2-phenylacetamide Traditional Name: (2S)-2-[4-(azepane-1-carbonyl)piperidino]-N-(2,5-dimethylphenyl)-2-phenyl-acetamide Formula: C28H37N3O2 MolecularWeight: 447.61228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)N3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)N3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C28H37N3O2/c1-21-12-13-22(2)25(20-21)29-27(32)26(23-10-6-5-7-11-23)30-18-14-24(15-19-30)28(33)31-16-8-3-4-9-17-31/h5-7,10-13,20,24,26H,3-4,8-9,14-19H2,1-2H3,(H,29,32)/t26-/m0/s1