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

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrN3/c18-16-4-2-14(3-5-16)17(15-6-9-20-10-7-15)21-12-1-8-19-11-13-21/h2-7,9-10,17,19H,1,8,11-13H2