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

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-[cyclohexyl(methyl)amino]azepan-2-one Openeye Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[cyclohexyl(methyl)amino]azepan-2-one CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[cyclohexyl(methyl)amino]-2-azepanone IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[cyclohexyl(methyl)amino]azepan-2-one Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[cyclohexyl(methyl)amino]azepan-2-one Formula: C21H29ClN2O3 MolecularWeight: 392.91956

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2CCC(=O)N(CC2)CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

CN(C1CCCCC1)C2CCC(=O)N(CC2)CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C21H29ClN2O3/c1-23(16-5-3-2-4-6-16)17-7-8-21(25)24(10-9-17)13-15-11-19-20(12-18(15)22)27-14-26-19/h11-12,16-17H,2-10,13-14H2,1H3