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

Systemtic Name: 5-[1-benzothiophen-2-ylmethyl(methyl)amino]-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]azepan-2-one Openeye Name: 5-[benzothiophen-2-ylmethyl(methyl)amino]-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]azepan-2-one CAS Name: 5-[1-benzothiophen-2-ylmethyl(methyl)amino]-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-azepanone IUPAC Name: 5-[1-benzothiophen-2-ylmethyl(methyl)amino]-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]azepan-2-one Traditional Name: 5-[benzothiophen-2-ylmethyl(methyl)amino]-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]azepan-2-one Formula: C24H25ClN2O3S MolecularWeight: 456.9849

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=CC=CC=C2S1)C3CCC(=O)N(CC3)CC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

CN(CC1=CC2=CC=CC=C2S1)C3CCC(=O)N(CC3)CC4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C24H25ClN2O3S/c1-26(14-19-10-16-4-2-3-5-23(16)31-19)18-6-7-24(28)27(9-8-18)13-17-11-21-22(12-20(17)25)30-15-29-21/h2-5,10-12,18H,6-9,13-15H2,1H3