2-(5-chloranyl-1-benzothiophen-3-yl)-1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(5-chloranyl-1-benzothiophen-3-yl)-1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(5-chlorobenzothiophen-3-yl)-1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-(5-chloro-1-benzothiophen-3-yl)-1-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(5-chloro-1-benzothiophen-3-yl)-1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(5-chlorobenzothiophen-3-yl)-1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]ethanone Formula: C22H24ClN3OS MolecularWeight: 413.96346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CC3=CSC4=C3C=C(C=C4)Cl

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CC3=CSC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN3OS/c1-16-4-2-5-19(24-16)14-25-8-3-9-26(11-10-25)22(27)12-17-15-28-21-7-6-18(23)13-20(17)21/h2,4-7,13,15H,3,8-12,14H2,1H3