3-bromanyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

Systemtic Name: 3-bromanyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: 3-bromo-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide CAS Name: 3-bromo-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 3-bromo-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 3-bromo-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C30H32BrN7O MolecularWeight: 586.52538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCCN(CC3)C)Br)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCCN(CC3)C)Br)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C30H32BrN7O/c1-21-6-9-25(18-28(21)36-30-33-12-10-27(35-30)23-5-3-11-32-19-23)34-29(39)22-7-8-24(26(31)17-22)20-38-14-4-13-37(2)15-16-38/h3,5-12,17-19H,4,13-16,20H2,1-2H3,(H,34,39)(H,33,35,36)