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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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