(5S)-5-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-1-(phenylmethyl)azepan-2-one

Systemtic Name: (5S)-5-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-1-(phenylmethyl)azepan-2-one Openeye Name: (5S)-1-benzyl-5-[(2R)-2-(hydroxymethyl)-1-piperidyl]azepan-2-one CAS Name: (5S)-5-[(2R)-2-(hydroxymethyl)-1-piperidinyl]-1-(phenylmethyl)-2-azepanone IUPAC Name: (5S)-1-benzyl-5-[(2R)-2-(hydroxymethyl)piperidin-1-yl]azepan-2-one Traditional Name: (5S)-1-benzyl-5-[(2R)-2-methylolpiperidino]azepan-2-one Formula: C19H28N2O2 MolecularWeight: 316.43782

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CO)C2CCC(=O)N(CC2)CC3=CC=CC=C3

Isomeric SMILES

C1CCN([C@H](C1)CO)[C@H]2CCC(=O)N(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H28N2O2/c22-15-18-8-4-5-12-21(18)17-9-10-19(23)20(13-11-17)14-16-6-2-1-3-7-16/h1-3,6-7,17-18,22H,4-5,8-15H2/t17-,18+/m0/s1