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

Systemtic Name: 1-[(4-bromophenyl)-pyridin-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(4-bromophenyl)-(3-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(4-bromophenyl)-(3-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-bromophenyl)-pyridin-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[(4-bromophenyl)-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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