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

Systemtic Name: 4-butoxy-N-[4-[(2-methyl-6-piperidin-1-yl-pyrimidin-4-yl)amino]phenyl]benzamide Openeye Name: 4-butoxy-N-[4-[[2-methyl-6-(1-piperidyl)pyrimidin-4-yl]amino]phenyl]benzamide CAS Name: 4-butoxy-N-[4-[[2-methyl-6-(1-piperidinyl)-4-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 4-butoxy-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide Traditional Name: 4-butoxy-N-[4-[(2-methyl-6-piperidino-pyrimidin-4-yl)amino]phenyl]benzamide Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC3=NC(=NC(=C3)N4CCCCC4)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC3=NC(=NC(=C3)N4CCCCC4)C

InChI

InChI=1S/C27H33N5O2/c1-3-4-18-34-24-14-8-21(9-15-24)27(33)31-23-12-10-22(11-13-23)30-25-19-26(29-20(2)28-25)32-16-6-5-7-17-32/h8-15,19H,3-7,16-18H2,1-2H3,(H,31,33)(H,28,29,30)