N-(cyanomethyl)-4-[2-[[4-(4-oxidanylpiperidin-1-yl)phenyl]amino]pyrimidin-4-yl]benzamide

Systemtic Name: N-(cyanomethyl)-4-[2-[[4-(4-oxidanylpiperidin-1-yl)phenyl]amino]pyrimidin-4-yl]benzamide Openeye Name: N-(cyanomethyl)-4-[2-[4-(4-hydroxy-1-piperidyl)anilino]pyrimidin-4-yl]benzamide CAS Name: N-(cyanomethyl)-4-[2-[4-(4-hydroxy-1-piperidinyl)anilino]-4-pyrimidinyl]benzamide IUPAC Name: N-(cyanomethyl)-4-[2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidin-4-yl]benzamide Traditional Name: N-(cyanomethyl)-4-[2-[4-(4-hydroxypiperidino)anilino]pyrimidin-4-yl]benzamide Formula: C24H24N6O2 MolecularWeight: 428.48636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)C(=O)NCC#N

Isomeric SMILES

C1CN(CCC1O)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)C(=O)NCC#N

InChI

InChI=1S/C24H24N6O2/c25-12-14-26-23(32)18-3-1-17(2-4-18)22-9-13-27-24(29-22)28-19-5-7-20(8-6-19)30-15-10-21(31)11-16-30/h1-9,13,21,31H,10-11,14-16H2,(H,26,32)(H,27,28,29)