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

Systemtic Name: 1-[(4-bromophenyl)-pyridin-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(4-bromophenyl)-(2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(4-bromophenyl)-(2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-bromophenyl)-pyridin-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[(4-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=C(C=C2)Br)C3=CC=CC=N3

Isomeric SMILES

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

InChI

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