1-[(5-bromanylthiophen-2-yl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(5-bromo-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(5-bromo-2-thienyl)methyl]-1,4-diazepane Formula: C25H29BrN2O3S MolecularWeight: 517.47836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=C(S3)Br)N4CCCNCC4

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=C(S3)Br)N4CCCNCC4

InChI

InChI=1S/C25H29BrN2O3S/c1-29-20-15-19(16-21(30-2)25(20)31-17-18-7-4-3-5-8-18)24(22-9-10-23(26)32-22)28-13-6-11-27-12-14-28/h3-5,7-10,15-16,24,27H,6,11-14,17H2,1-2H3