1-[2-[[4-[3-(azepan-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methylamino]ethyl]piperidin-2-one

Systemtic Name: 1-[2-[[4-[3-(azepan-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methylamino]ethyl]piperidin-2-one Openeye Name: 1-[2-[[4-[3-(azepan-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methylamino]ethyl]piperidin-2-one CAS Name: 1-[2-[[4-[3-(1-azepanyl)-2-hydroxypropoxy]-3-methoxyphenyl]methylamino]ethyl]-2-piperidinone IUPAC Name: 1-[2-[[4-[3-(azepan-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methylamino]ethyl]piperidin-2-one Traditional Name: 1-[2-[[4-[3-(azepan-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]amino]ethyl]-2-piperidone Formula: C24H39N3O4 MolecularWeight: 433.58416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCCN2CCCCC2=O)OCC(CN3CCCCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNCCN2CCCCC2=O)OCC(CN3CCCCCC3)O

InChI

InChI=1S/C24H39N3O4/c1-30-23-16-20(17-25-11-15-27-14-7-4-8-24(27)29)9-10-22(23)31-19-21(28)18-26-12-5-2-3-6-13-26/h9-10,16,21,25,28H,2-8,11-15,17-19H2,1H3