(5S)-1-(2-phenoxyethyl)-5-[4-(phenylmethyl)piperidin-1-yl]azepan-2-one

Systemtic Name: (5S)-1-(2-phenoxyethyl)-5-[4-(phenylmethyl)piperidin-1-yl]azepan-2-one Openeye Name: (5S)-5-(4-benzyl-1-piperidyl)-1-(2-phenoxyethyl)azepan-2-one CAS Name: (5S)-1-(2-phenoxyethyl)-5-[4-(phenylmethyl)-1-piperidinyl]-2-azepanone IUPAC Name: (5S)-5-(4-benzylpiperidin-1-yl)-1-(2-phenoxyethyl)azepan-2-one Traditional Name: (5S)-5-(4-benzylpiperidino)-1-(2-phenoxyethyl)azepan-2-one Formula: C26H34N2O2 MolecularWeight: 406.56036

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1N2CCC(CC2)CC3=CC=CC=C3)CCOC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(CC[C@H]1N2CCC(CC2)CC3=CC=CC=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C26H34N2O2/c29-26-12-11-24(15-18-28(26)19-20-30-25-9-5-2-6-10-25)27-16-13-23(14-17-27)21-22-7-3-1-4-8-22/h1-10,23-24H,11-21H2/t24-/m0/s1