1-[[4-(4-bromophenyl)pyridin-3-yl]methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[[4-(4-bromophenyl)pyridin-3-yl]methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[[4-(4-bromophenyl)-3-pyridyl]methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane CAS Name: 1-[[4-(4-bromophenyl)-3-pyridinyl]methyl]-4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepane IUPAC Name: 1-[[4-(4-bromophenyl)pyridin-3-yl]methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[[4-(4-bromophenyl)-3-pyridyl]methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Formula: C22H26BrN5 MolecularWeight: 440.37934

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)CC3=C(C=CN=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)CC3=C(C=CN=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H26BrN5/c1-26-12-9-25-22(26)17-28-11-2-10-27(13-14-28)16-19-15-24-8-7-21(19)18-3-5-20(23)6-4-18/h3-9,12,15H,2,10-11,13-14,16-17H2,1H3