4-bromanyl-N-[4-[(4-methyl-6-piperidin-1-yl-pyrimidin-2-yl)amino]phenyl]benzamide

Systemtic Name: 4-bromanyl-N-[4-[(4-methyl-6-piperidin-1-yl-pyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: 4-bromo-N-[4-[[4-methyl-6-(1-piperidyl)pyrimidin-2-yl]amino]phenyl]benzamide CAS Name: 4-bromo-N-[4-[[4-methyl-6-(1-piperidinyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 4-bromo-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 4-bromo-N-[4-[(4-methyl-6-piperidino-pyrimidin-2-yl)amino]phenyl]benzamide Formula: C23H24BrN5O MolecularWeight: 466.37356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br)N4CCCCC4

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br)N4CCCCC4

InChI

InChI=1S/C23H24BrN5O/c1-16-15-21(29-13-3-2-4-14-29)28-23(25-16)27-20-11-9-19(10-12-20)26-22(30)17-5-7-18(24)8-6-17/h5-12,15H,2-4,13-14H2,1H3,(H,26,30)(H,25,27,28)