3-[4-[[4-(4-cyano-2,6-dimethyl-phenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]benzamide

Systemtic Name: 3-[4-[[4-(4-cyano-2,6-dimethyl-phenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]benzamide Openeye Name: 3-[4-[[4-(4-cyano-2,6-dimethyl-phenoxy)pyrimidin-2-yl]amino]-1-piperidyl]benzamide CAS Name: 3-[4-[[4-(4-cyano-2,6-dimethylphenoxy)-2-pyrimidinyl]amino]-1-piperidinyl]benzamide IUPAC Name: 3-[4-[[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]benzamide Traditional Name: 3-[4-[[4-(4-cyano-2,6-dimethyl-phenoxy)pyrimidin-2-yl]amino]piperidino]benzamide Formula: C25H26N6O2 MolecularWeight: 442.51294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=NC(=NC=C2)NC3CCN(CC3)C4=CC=CC(=C4)C(=O)N)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1OC2=NC(=NC=C2)NC3CCN(CC3)C4=CC=CC(=C4)C(=O)N)C)C#N

InChI

InChI=1S/C25H26N6O2/c1-16-12-18(15-26)13-17(2)23(16)33-22-6-9-28-25(30-22)29-20-7-10-31(11-8-20)21-5-3-4-19(14-21)24(27)32/h3-6,9,12-14,20H,7-8,10-11H2,1-2H3,(H2,27,32)(H,28,29,30)