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

Systemtic Name: 1-[2-[[3-[3-(azepan-1-yl)-2-oxidanyl-propoxy]phenyl]methylamino]ethyl]pyrrolidin-2-one Openeye Name: 1-[2-[[3-[3-(azepan-1-yl)-2-hydroxy-propoxy]phenyl]methylamino]ethyl]pyrrolidin-2-one CAS Name: 1-[2-[[3-[3-(1-azepanyl)-2-hydroxypropoxy]phenyl]methylamino]ethyl]-2-pyrrolidinone IUPAC Name: 1-[2-[[3-[3-(azepan-1-yl)-2-hydroxypropoxy]phenyl]methylamino]ethyl]pyrrolidin-2-one Traditional Name: 1-[2-[[3-[3-(azepan-1-yl)-2-hydroxy-propoxy]benzyl]amino]ethyl]-2-pyrrolidone Formula: C22H35N3O3 MolecularWeight: 389.5316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(COC2=CC=CC(=C2)CNCCN3CCCC3=O)O

Isomeric SMILES

C1CCCN(CC1)CC(COC2=CC=CC(=C2)CNCCN3CCCC3=O)O

InChI

InChI=1S/C22H35N3O3/c26-20(17-24-11-3-1-2-4-12-24)18-28-21-8-5-7-19(15-21)16-23-10-14-25-13-6-9-22(25)27/h5,7-8,15,20,23,26H,1-4,6,9-14,16-18H2