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

Systemtic Name: 1-[1-benzothiophen-2-yl-(5-bromanyl-2-methoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-2-yl-(5-bromo-2-methoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-2-yl-(5-bromo-2-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-2-yl-(5-bromo-2-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-2-yl-(5-bromo-2-methoxy-phenyl)methyl]-1,4-diazepane Formula: C21H23BrN2OS MolecularWeight: 431.38912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=CC3=CC=CC=C3S2)N4CCCNCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CC3=CC=CC=C3S2)N4CCCNCC4

InChI

InChI=1S/C21H23BrN2OS/c1-25-18-8-7-16(22)14-17(18)21(24-11-4-9-23-10-12-24)20-13-15-5-2-3-6-19(15)26-20/h2-3,5-8,13-14,21,23H,4,9-12H2,1H3