1-[(3-bromophenyl)-(furan-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-bromophenyl)-(furan-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(3-bromophenyl)-(2-furyl)methyl]-1,4-diazepane CAS Name: 1-[(3-bromophenyl)-(2-furanyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-bromophenyl)-(furan-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(3-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(=CC=C2)Br)C3=CC=CO3

Isomeric SMILES

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

InChI

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