(5R)-1-(3-methylbutyl)-5-[(3S)-3-phenylpiperidin-1-yl]azepan-2-one

Systemtic Name: (5R)-1-(3-methylbutyl)-5-[(3S)-3-phenylpiperidin-1-yl]azepan-2-one Openeye Name: (5R)-1-isopentyl-5-[(3S)-3-phenyl-1-piperidyl]azepan-2-one CAS Name: (5R)-1-(3-methylbutyl)-5-[(3S)-3-phenyl-1-piperidinyl]-2-azepanone IUPAC Name: (5R)-1-(3-methylbutyl)-5-[(3S)-3-phenylpiperidin-1-yl]azepan-2-one Traditional Name: (5R)-1-isoamyl-5-[(3S)-3-phenylpiperidino]azepan-2-one Formula: C22H34N2O MolecularWeight: 342.51816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CCC(CCC1=O)N2CCCC(C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCN1CC[C@@H](CCC1=O)N2CCC[C@H](C2)C3=CC=CC=C3

InChI

InChI=1S/C22H34N2O/c1-18(2)12-15-23-16-13-21(10-11-22(23)25)24-14-6-9-20(17-24)19-7-4-3-5-8-19/h3-5,7-8,18,20-21H,6,9-17H2,1-2H3/t20-,21-/m1/s1