1-[(5-bromanylthiophen-2-yl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-thienyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-thienyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane Formula: C18H23BrN2O2S MolecularWeight: 411.35642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC=C(S2)Br)N3CCCNCC3

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC=C(S2)Br)N3CCCNCC3

InChI

InChI=1S/C18H23BrN2O2S/c1-22-14-6-3-5-13(18(14)23-2)17(15-7-8-16(19)24-15)21-11-4-9-20-10-12-21/h3,5-8,17,20H,4,9-12H2,1-2H3