2-(5-chloranyl-1-benzothiophen-3-yl)-1-[2-(pyrrolidin-1-ylmethyl)azepan-1-yl]ethanone

Systemtic Name: 2-(5-chloranyl-1-benzothiophen-3-yl)-1-[2-(pyrrolidin-1-ylmethyl)azepan-1-yl]ethanone Openeye Name: 2-(5-chlorobenzothiophen-3-yl)-1-[2-(pyrrolidin-1-ylmethyl)azepan-1-yl]ethanone CAS Name: 2-(5-chloro-1-benzothiophen-3-yl)-1-[2-(1-pyrrolidinylmethyl)-1-azepanyl]ethanone IUPAC Name: 2-(5-chloro-1-benzothiophen-3-yl)-1-[2-(pyrrolidin-1-ylmethyl)azepan-1-yl]ethanone Traditional Name: 2-(5-chlorobenzothiophen-3-yl)-1-[2-(pyrrolidinomethyl)azepan-1-yl]ethanone Formula: C21H27ClN2OS MolecularWeight: 390.96988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)C(=O)CC2=CSC3=C2C=C(C=C3)Cl)CN4CCCC4

Isomeric SMILES

C1CCC(N(CC1)C(=O)CC2=CSC3=C2C=C(C=C3)Cl)CN4CCCC4

InChI

InChI=1S/C21H27ClN2OS/c22-17-7-8-20-19(13-17)16(15-26-20)12-21(25)24-11-3-1-2-6-18(24)14-23-9-4-5-10-23/h7-8,13,15,18H,1-6,9-12,14H2