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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-thiophen-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2-thienyl)methyl]-1,4-diazepane Formula: C18H23BrN2O2S MolecularWeight: 411.35642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC=CS2)N3CCCNCC3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC=CS2)N3CCCNCC3)Br)OC

InChI

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