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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3-benzyloxyphenyl)-(5-bromo-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3-benzoxyphenyl)-(5-bromo-2-thienyl)methyl]-1,4-diazepane Formula: C23H25BrN2OS MolecularWeight: 457.4264

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC=C(S4)Br

Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC=C(S4)Br

InChI

InChI=1S/C23H25BrN2OS/c24-22-11-10-21(28-22)23(26-14-5-12-25-13-15-26)19-8-4-9-20(16-19)27-17-18-6-2-1-3-7-18/h1-4,6-11,16,23,25H,5,12-15,17H2