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

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

Isomeric SMILES

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

InChI

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