2-[4-[2-(5-chloranyl-1-benzothiophen-3-yl)ethanoyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-[2-(5-chloranyl-1-benzothiophen-3-yl)ethanoyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-[2-(5-chlorobenzothiophen-3-yl)acetyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[2-(5-chloro-1-benzothiophen-3-yl)-1-oxoethyl]-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-[2-(5-chloro-1-benzothiophen-3-yl)acetyl]-1,4-diazepan-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-[2-(5-chlorobenzothiophen-3-yl)acetyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide Formula: C25H28ClN3O2S MolecularWeight: 470.02672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CSC3=C2C=C(C=C3)Cl)CC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CSC3=C2C=C(C=C3)Cl)CC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H28ClN3O2S/c26-21-7-8-23-22(16-21)20(18-32-23)15-25(31)29-12-4-11-28(13-14-29)17-24(30)27-10-9-19-5-2-1-3-6-19/h1-3,5-8,16,18H,4,9-15,17H2,(H,27,30)