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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-thienyl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-thienyl)-(3,4-dimethoxyphenyl)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=C(S2)Br)N3CCCNCC3)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN2O2S/c1-22-14-5-4-13(12-15(14)23-2)18(16-6-7-17(19)24-16)21-10-3-8-20-9-11-21/h4-7,12,18,20H,3,8-11H2,1-2H3