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

Systemtic Name: 1-[(3-bromophenyl)-pyridin-4-yl-methyl]-1,4-diazepane Openeye Name: 1-[(3-bromophenyl)-(4-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(3-bromophenyl)-pyridin-4-ylmethyl]-1,4-diazepane IUPAC Name: 1-[(3-bromophenyl)-pyridin-4-ylmethyl]-1,4-diazepane Traditional Name: 1-[(3-bromophenyl)-(4-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=NC=C2)C3=CC(=CC=C3)Br

Isomeric SMILES

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

InChI

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