1-[2-[[3-[3-(azepan-1-yl)-2-oxidanyl-propoxy]phenyl]methylamino]ethyl]piperidin-2-one

Systemtic Name: 1-[2-[[3-[3-(azepan-1-yl)-2-oxidanyl-propoxy]phenyl]methylamino]ethyl]piperidin-2-one Openeye Name: 1-[2-[[3-[3-(azepan-1-yl)-2-hydroxy-propoxy]phenyl]methylamino]ethyl]piperidin-2-one CAS Name: 1-[2-[[3-[3-(1-azepanyl)-2-hydroxypropoxy]phenyl]methylamino]ethyl]-2-piperidinone IUPAC Name: 1-[2-[[3-[3-(azepan-1-yl)-2-hydroxypropoxy]phenyl]methylamino]ethyl]piperidin-2-one Traditional Name: 1-[2-[[3-[3-(azepan-1-yl)-2-hydroxy-propoxy]benzyl]amino]ethyl]-2-piperidone Formula: C23H37N3O3 MolecularWeight: 403.55818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(COC2=CC=CC(=C2)CNCCN3CCCCC3=O)O

Isomeric SMILES

C1CCCN(CC1)CC(COC2=CC=CC(=C2)CNCCN3CCCCC3=O)O

InChI

InChI=1S/C23H37N3O3/c27-21(18-25-12-4-1-2-5-13-25)19-29-22-9-7-8-20(16-22)17-24-11-15-26-14-6-3-10-23(26)28/h7-9,16,21,24,27H,1-6,10-15,17-19H2