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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(2-phenylmethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-benzyloxyphenyl)-(5-bromo-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)-(2-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)-(2-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2-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=C2OCC3=CC=CC=C3)C4=CC=C(S4)Br

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=CC=C(S4)Br

InChI

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