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

Systemtic Name: 1-[[4-(4-bromophenyl)pyridin-3-yl]methyl]-4-(pyridin-2-ylmethyl)-1,4-diazepane Openeye Name: 1-[[4-(4-bromophenyl)-3-pyridyl]methyl]-4-(2-pyridylmethyl)-1,4-diazepane CAS Name: 1-[[4-(4-bromophenyl)-3-pyridinyl]methyl]-4-(2-pyridinylmethyl)-1,4-diazepane IUPAC Name: 1-[[4-(4-bromophenyl)pyridin-3-yl]methyl]-4-(pyridin-2-ylmethyl)-1,4-diazepane Traditional Name: 1-[[4-(4-bromophenyl)-3-pyridyl]methyl]-4-(2-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=CC=N4

Isomeric SMILES

C1CN(CCN(C1)CC2=C(C=CN=C2)C3=CC=C(C=C3)Br)CC4=CC=CC=N4

InChI

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