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

Systemtic Name: 3-bromanyl-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(4-propylpiperazin-1-yl)methyl]benzamide Openeye Name: 3-bromo-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-[(4-propylpiperazin-1-yl)methyl]benzamide CAS Name: 3-bromo-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-4-[(4-propyl-1-piperazinyl)methyl]benzamide IUPAC Name: 3-bromo-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(4-propylpiperazin-1-yl)methyl]benzamide Traditional Name: 3-bromo-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-[(4-propylpiperazino)methyl]benzamide Formula: C31H34BrN7O MolecularWeight: 600.55196

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)CC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5)Br

Isomeric SMILES

CCCN1CCN(CC1)CC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5)Br

InChI

InChI=1S/C31H34BrN7O/c1-3-13-38-14-16-39(17-15-38)21-25-8-7-23(18-27(25)32)30(40)35-26-9-6-22(2)29(19-26)37-31-34-12-10-28(36-31)24-5-4-11-33-20-24/h4-12,18-20H,3,13-17,21H2,1-2H3,(H,35,40)(H,34,36,37)