N-(cyanomethyl)-4-[2-[[4-(1-ethylpiperidin-4-yl)oxyphenyl]amino]pyrimidin-4-yl]benzamide

Systemtic Name: N-(cyanomethyl)-4-[2-[[4-(1-ethylpiperidin-4-yl)oxyphenyl]amino]pyrimidin-4-yl]benzamide Openeye Name: N-(cyanomethyl)-4-[2-[4-[(1-ethyl-4-piperidyl)oxy]anilino]pyrimidin-4-yl]benzamide CAS Name: N-(cyanomethyl)-4-[2-[4-[(1-ethyl-4-piperidinyl)oxy]anilino]-4-pyrimidinyl]benzamide IUPAC Name: N-(cyanomethyl)-4-[2-[4-(1-ethylpiperidin-4-yl)oxyanilino]pyrimidin-4-yl]benzamide Traditional Name: N-(cyanomethyl)-4-[2-[4-[(1-ethyl-4-piperidyl)oxy]anilino]pyrimidin-4-yl]benzamide Formula: C26H28N6O2 MolecularWeight: 456.53952

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)OC2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)C(=O)NCC#N

Isomeric SMILES

CCN1CCC(CC1)OC2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)C(=O)NCC#N

InChI

InChI=1S/C26H28N6O2/c1-2-32-17-12-23(13-18-32)34-22-9-7-21(8-10-22)30-26-29-15-11-24(31-26)19-3-5-20(6-4-19)25(33)28-16-14-27/h3-11,15,23H,2,12-13,16-18H2,1H3,(H,28,33)(H,29,30,31)