1-[[4-(4-bromophenyl)pyridin-3-yl]methyl]-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[[4-(4-bromophenyl)pyridin-3-yl]methyl]-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[[4-(4-bromophenyl)-3-pyridyl]methyl]-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[[4-(4-bromophenyl)-3-pyridinyl]methyl]-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[[4-(4-bromophenyl)pyridin-3-yl]methyl]-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[[4-(4-bromophenyl)-3-pyridyl]methyl]-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane Formula: C24H27BrN4 MolecularWeight: 451.40198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=C(C=CN=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=C(C=CN=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H27BrN4/c1-19-4-2-5-23(27-19)18-29-13-3-12-28(14-15-29)17-21-16-26-11-10-24(21)20-6-8-22(25)9-7-20/h2,4-11,16H,3,12-15,17-18H2,1H3