2-(5-chloranyl-1-benzothiophen-3-yl)-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(5-chloranyl-1-benzothiophen-3-yl)-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(5-chlorobenzothiophen-3-yl)-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-(5-chloro-1-benzothiophen-3-yl)-1-[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(5-chloro-1-benzothiophen-3-yl)-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(5-chlorobenzothiophen-3-yl)-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Formula: C20H23ClN4OS MolecularWeight: 402.94082

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=O)CC3=CSC4=C3C=C(C=C4)Cl

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=O)CC3=CSC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C20H23ClN4OS/c1-23-8-5-22-19(23)13-24-6-2-7-25(10-9-24)20(26)11-15-14-27-18-4-3-16(21)12-17(15)18/h3-5,8,12,14H,2,6-7,9-11,13H2,1H3