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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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