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

Systemtic Name: 1-[[4-(4-bromophenyl)pyridin-3-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane Openeye Name: 1-[[4-(4-bromophenyl)-3-pyridyl]methyl]-4-(3-pyridylmethyl)-1,4-diazepane CAS Name: 1-[[4-(4-bromophenyl)-3-pyridinyl]methyl]-4-(3-pyridinylmethyl)-1,4-diazepane IUPAC Name: 1-[[4-(4-bromophenyl)pyridin-3-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane Traditional Name: 1-[[4-(4-bromophenyl)-3-pyridyl]methyl]-4-(3-pyridylmethyl)-1,4-diazepane Formula: C23H25BrN4 MolecularWeight: 437.3754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=C(C=CN=C2)C3=CC=C(C=C3)Br)CC4=CN=CC=C4

Isomeric SMILES

C1CN(CCN(C1)CC2=C(C=CN=C2)C3=CC=C(C=C3)Br)CC4=CN=CC=C4

InChI

InChI=1S/C23H25BrN4/c24-22-6-4-20(5-7-22)23-8-10-26-16-21(23)18-28-12-2-11-27(13-14-28)17-19-3-1-9-25-15-19/h1,3-10,15-16H,2,11-14,17-18H2