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

Systemtic Name: 5-[1H-benzimidazol-2-ylmethyl(methyl)amino]-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]azepan-2-one Openeye Name: 5-[1H-benzimidazol-2-ylmethyl(methyl)amino]-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]azepan-2-one CAS Name: 5-[1H-benzimidazol-2-ylmethyl(methyl)amino]-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-azepanone IUPAC Name: 5-[1H-benzimidazol-2-ylmethyl(methyl)amino]-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]azepan-2-one Traditional Name: 5-[1H-benzimidazol-2-ylmethyl(methyl)amino]-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]azepan-2-one Formula: C23H25ClN4O3 MolecularWeight: 440.9226

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2N1)C3CCC(=O)N(CC3)CC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2N1)C3CCC(=O)N(CC3)CC4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C23H25ClN4O3/c1-27(13-22-25-18-4-2-3-5-19(18)26-22)16-6-7-23(29)28(9-8-16)12-15-10-20-21(11-17(15)24)31-14-30-20/h2-5,10-11,16H,6-9,12-14H2,1H3,(H,25,26)