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

Systemtic Name: 2-(5-chloranyl-1-benzothiophen-3-yl)-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(5-chlorobenzothiophen-3-yl)-1-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(5-chloro-1-benzothiophen-3-yl)-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(5-chloro-1-benzothiophen-3-yl)-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(5-chlorobenzothiophen-3-yl)-1-[4-(4-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=NC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CSC3=C2C=C(C=C3)Cl)CC4=CC=NC=C4

InChI

InChI=1S/C21H22ClN3OS/c22-18-2-3-20-19(13-18)17(15-27-20)12-21(26)25-9-1-8-24(10-11-25)14-16-4-6-23-7-5-16/h2-7,13,15H,1,8-12,14H2