(5S)-5-[methyl-[(2R)-2-oxidanyl-2-phenyl-ethyl]amino]-1-(2-piperidin-1-ylethyl)azepan-2-one

Systemtic Name: (5S)-5-[methyl-[(2R)-2-oxidanyl-2-phenyl-ethyl]amino]-1-(2-piperidin-1-ylethyl)azepan-2-one Openeye Name: (5S)-5-[[(2R)-2-hydroxy-2-phenyl-ethyl]-methyl-amino]-1-[2-(1-piperidyl)ethyl]azepan-2-one CAS Name: (5S)-5-[[(2R)-2-hydroxy-2-phenylethyl]-methylamino]-1-[2-(1-piperidinyl)ethyl]-2-azepanone IUPAC Name: (5S)-5-[[(2R)-2-hydroxy-2-phenylethyl]-methylamino]-1-(2-piperidin-1-ylethyl)azepan-2-one Traditional Name: (5S)-5-[[(2R)-2-hydroxy-2-phenyl-ethyl]-methyl-amino]-1-(2-piperidinoethyl)azepan-2-one Formula: C22H35N3O2 MolecularWeight: 373.5322

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(C1=CC=CC=C1)O)C2CCC(=O)N(CC2)CCN3CCCCC3

Isomeric SMILES

CN(C[C@@H](C1=CC=CC=C1)O)[C@H]2CCC(=O)N(CC2)CCN3CCCCC3

InChI

InChI=1S/C22H35N3O2/c1-23(18-21(26)19-8-4-2-5-9-19)20-10-11-22(27)25(15-12-20)17-16-24-13-6-3-7-14-24/h2,4-5,8-9,20-21,26H,3,6-7,10-18H2,1H3/t20-,21-/m0/s1