5-[2-hydroxyethyl-(phenylmethyl)amino]-1-(2-piperidin-1-ylethyl)azepan-2-one

Systemtic Name: 5-[2-hydroxyethyl-(phenylmethyl)amino]-1-(2-piperidin-1-ylethyl)azepan-2-one Openeye Name: 5-[benzyl(2-hydroxyethyl)amino]-1-[2-(1-piperidyl)ethyl]azepan-2-one CAS Name: 5-[2-hydroxyethyl-(phenylmethyl)amino]-1-[2-(1-piperidinyl)ethyl]-2-azepanone IUPAC Name: 5-[benzyl(2-hydroxyethyl)amino]-1-(2-piperidin-1-ylethyl)azepan-2-one Traditional Name: 5-[benzyl(2-hydroxyethyl)amino]-1-(2-piperidinoethyl)azepan-2-one Formula: C22H35N3O2 MolecularWeight: 373.5322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCN2CCC(CCC2=O)N(CCO)CC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)CCN2CCC(CCC2=O)N(CCO)CC3=CC=CC=C3

InChI

InChI=1S/C22H35N3O2/c26-18-17-25(19-20-7-3-1-4-8-20)21-9-10-22(27)24(14-11-21)16-15-23-12-5-2-6-13-23/h1,3-4,7-8,21,26H,2,5-6,9-19H2