1-[1-benzothiophen-3-yl-(5-bromanyl-2-ethoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1-benzothiophen-3-yl-(5-bromanyl-2-ethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-3-yl-(5-bromo-2-ethoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-3-yl-(5-bromo-2-ethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-3-yl-(5-bromo-2-ethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-3-yl-(5-bromo-2-ethoxy-phenyl)methyl]-1,4-diazepane Formula: C22H25BrN2OS MolecularWeight: 445.4157

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CSC3=CC=CC=C32)N4CCCNCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CSC3=CC=CC=C32)N4CCCNCC4

InChI

InChI=1S/C22H25BrN2OS/c1-2-26-20-9-8-16(23)14-18(20)22(25-12-5-10-24-11-13-25)19-15-27-21-7-4-3-6-17(19)21/h3-4,6-9,14-15,22,24H,2,5,10-13H2,1H3