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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(5-chloranylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(5-chloro-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(5-chloro-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(5-chloro-2-thienyl)methyl]-1,4-diazepane Formula: C17H20BrClN2OS MolecularWeight: 415.7755

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrClN2OS/c1-22-14-4-3-12(18)11-13(14)17(15-5-6-16(19)23-15)21-9-2-7-20-8-10-21/h3-6,11,17,20H,2,7-10H2,1H3