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

Systemtic Name: 1-[[4-(4-bromophenyl)pyridin-3-yl]methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepane Openeye Name: 1-[[4-(4-bromophenyl)-3-pyridyl]methyl]-4-(4-pyridylmethyl)-1,4-diazepane CAS Name: 1-[[4-(4-bromophenyl)-3-pyridinyl]methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepane IUPAC Name: 1-[[4-(4-bromophenyl)pyridin-3-yl]methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepane Traditional Name: 1-[[4-(4-bromophenyl)-3-pyridyl]methyl]-4-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrN4/c24-22-4-2-20(3-5-22)23-8-11-26-16-21(23)18-28-13-1-12-27(14-15-28)17-19-6-9-25-10-7-19/h2-11,16H,1,12-15,17-18H2