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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-phenoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-thienyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-phenoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-thienyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane Formula: C22H23BrN2OS MolecularWeight: 443.39982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=C(S4)Br

Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=C(S4)Br

InChI

InChI=1S/C22H23BrN2OS/c23-21-11-10-20(27-21)22(25-14-5-12-24-13-15-25)17-6-4-9-19(16-17)26-18-7-2-1-3-8-18/h1-4,6-11,16,22,24H,5,12-15H2