1-[(2-bromophenyl)-(furan-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2-bromophenyl)-(furan-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(2-bromophenyl)-(2-furyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromophenyl)-(2-furanyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromophenyl)-(furan-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(2-bromophenyl)-(2-furyl)methyl]-1,4-diazepane Formula: C16H19BrN2O MolecularWeight: 335.23886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=CC=C2Br)C3=CC=CO3

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=CC=C2Br)C3=CC=CO3

InChI

InChI=1S/C16H19BrN2O/c17-14-6-2-1-5-13(14)16(15-7-3-12-20-15)19-10-4-8-18-9-11-19/h1-3,5-7,12,16,18H,4,8-11H2