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

Systemtic Name: 2-(5-chloranyl-1-benzothiophen-3-yl)-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(5-chlorobenzothiophen-3-yl)-1-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(5-chloro-1-benzothiophen-3-yl)-1-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(5-chloro-1-benzothiophen-3-yl)-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(5-chlorobenzothiophen-3-yl)-1-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]ethanone Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CSC3=C2C=C(C=C3)Cl)CC4=CC=CC=N4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CSC3=C2C=C(C=C3)Cl)CC4=CC=CC=N4

InChI

InChI=1S/C21H22ClN3OS/c22-17-5-6-20-19(13-17)16(15-27-20)12-21(26)25-9-3-8-24(10-11-25)14-18-4-1-2-7-23-18/h1-2,4-7,13,15H,3,8-12,14H2