(2R)-2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-N-(4-phenoxyphenyl)propanamide

Systemtic Name: (2R)-2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-N-(4-phenoxyphenyl)propanamide Openeye Name: (2R)-2-[4-(azepane-1-carbonyl)-1-piperidyl]-N-(4-phenoxyphenyl)propanamide CAS Name: (2R)-2-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-N-(4-phenoxyphenyl)propanamide IUPAC Name: (2R)-2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(4-phenoxyphenyl)propanamide Traditional Name: (2R)-2-[4-(azepane-1-carbonyl)piperidino]-N-(4-phenoxyphenyl)propionamide Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)N3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)N3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C27H35N3O3/c1-21(29-19-15-22(16-20-29)27(32)30-17-7-2-3-8-18-30)26(31)28-23-11-13-25(14-12-23)33-24-9-5-4-6-10-24/h4-6,9-14,21-22H,2-3,7-8,15-20H2,1H3,(H,28,31)/t21-/m1/s1