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

Systemtic Name: 1-[(3-bromophenyl)-pyridin-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(3-bromophenyl)-(2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(3-bromophenyl)-(2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-bromophenyl)-pyridin-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[(3-bromophenyl)-(2-pyridyl)methyl]-1,4-diazepane Formula: C17H20BrN3 MolecularWeight: 346.2648

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC(=CC=C2)Br)C3=CC=CC=N3

Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=CC=C2)Br)C3=CC=CC=N3

InChI

InChI=1S/C17H20BrN3/c18-15-6-3-5-14(13-15)17(16-7-1-2-9-20-16)21-11-4-8-19-10-12-21/h1-3,5-7,9,13,17,19H,4,8,10-12H2