4-[[2-[3-(azepan-1-yl)-2-oxidanyl-propoxy]-5-chloranyl-phenyl]methyl]piperazin-2-one

Systemtic Name: 4-[[2-[3-(azepan-1-yl)-2-oxidanyl-propoxy]-5-chloranyl-phenyl]methyl]piperazin-2-one Openeye Name: 4-[[2-[3-(azepan-1-yl)-2-hydroxy-propoxy]-5-chloro-phenyl]methyl]piperazin-2-one CAS Name: 4-[[2-[3-(1-azepanyl)-2-hydroxypropoxy]-5-chlorophenyl]methyl]-2-piperazinone IUPAC Name: 4-[[2-[3-(azepan-1-yl)-2-hydroxypropoxy]-5-chlorophenyl]methyl]piperazin-2-one Traditional Name: 4-[2-[3-(azepan-1-yl)-2-hydroxy-propoxy]-5-chloro-benzyl]piperazin-2-one Formula: C20H30ClN3O3 MolecularWeight: 395.9235

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(COC2=C(C=C(C=C2)Cl)CN3CCNC(=O)C3)O

Isomeric SMILES

C1CCCN(CC1)CC(COC2=C(C=C(C=C2)Cl)CN3CCNC(=O)C3)O

InChI

InChI=1S/C20H30ClN3O3/c21-17-5-6-19(16(11-17)12-24-10-7-22-20(26)14-24)27-15-18(25)13-23-8-3-1-2-4-9-23/h5-6,11,18,25H,1-4,7-10,12-15H2,(H,22,26)