1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(5-chloranylthiophen-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(5-chloranylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(5-chloro-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(5-chloro-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(5-chlorothiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(5-chloro-2-thienyl)methyl]-1,4-diazepane Formula: C18H22BrClN2O2S MolecularWeight: 445.80148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC=C(S2)Cl)N3CCCNCC3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC=C(S2)Cl)N3CCCNCC3)Br)OC

InChI

InChI=1S/C18H22BrClN2O2S/c1-23-14-10-12(13(19)11-15(14)24-2)18(16-4-5-17(20)25-16)22-8-3-6-21-7-9-22/h4-5,10-11,18,21H,3,6-9H2,1-2H3