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

Systemtic Name: 2-(3-methyl-1-benzothiophen-2-yl)-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(3-methylbenzothiophen-2-yl)-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-(3-methyl-1-benzothiophen-2-yl)-1-[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(3-methyl-1-benzothiophen-2-yl)-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(3-methylbenzothiophen-2-yl)-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)CC(=O)N3CCCN(CC3)CC4=NC=CN4C

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)CC(=O)N3CCCN(CC3)CC4=NC=CN4C

InChI

InChI=1S/C21H26N4OS/c1-16-17-6-3-4-7-18(17)27-19(16)14-21(26)25-10-5-9-24(12-13-25)15-20-22-8-11-23(20)2/h3-4,6-8,11H,5,9-10,12-15H2,1-2H3