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

Systemtic Name: 2-(3-methyl-1-benzothiophen-2-yl)-1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(3-methylbenzothiophen-2-yl)-1-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(3-methyl-1-benzothiophen-2-yl)-1-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(3-methyl-1-benzothiophen-2-yl)-1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(3-methylbenzothiophen-2-yl)-1-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]ethanone Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)CC(=O)N3CCCN(CC3)CC4=CN=CC=C4

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)CC(=O)N3CCCN(CC3)CC4=CN=CC=C4

InChI

InChI=1S/C22H25N3OS/c1-17-19-7-2-3-8-20(19)27-21(17)14-22(26)25-11-5-10-24(12-13-25)16-18-6-4-9-23-15-18/h2-4,6-9,15H,5,10-14,16H2,1H3