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

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

Isomeric SMILES

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

InChI

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