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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-thienyl)-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-thienyl)-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane Formula: C19H25BrN2O3S MolecularWeight: 441.3824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25BrN2O3S/c1-23-14-6-5-13(18(24-2)19(14)25-3)17(15-7-8-16(20)26-15)22-11-4-9-21-10-12-22/h5-8,17,21H,4,9-12H2,1-3H3