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1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(cyclooctylamino)azepan-2-one

1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(cyclooctylamino)azepan-2-one

Systemtic Name:1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(cyclooctylamino)azepan-2-one
Openeye Name:1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(cyclooctylamino)azepan-2-one
CAS Name:1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(cyclooctylamino)-2-azepanone
IUPAC Name:1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(cyclooctylamino)azepan-2-one
Traditional Name:1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(cyclooctylamino)azepan-2-one
Formula: C22H31ClN2O3
MolecularWeight: 406.94614
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC2CCC(=O)N(CC2)CC3=CC4=C(C=C3Cl)OCO4


Isomeric SMILES

C1CCCC(CCC1)NC2CCC(=O)N(CC2)CC3=CC4=C(C=C3Cl)OCO4


InChI

InChI=1S/C22H31ClN2O3/c23-19-13-21-20(27-15-28-21)12-16(19)14-25-11-10-18(8-9-22(25)26)24-17-6-4-2-1-3-5-7-17/h12-13,17-18,24H,1-11,14-15H2


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