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

Systemtic Name: N-(cyanomethyl)-4-[2-[[4-(4-ethanoylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]benzamide Openeye Name: 4-[2-[4-(4-acetylpiperazin-1-yl)anilino]pyrimidin-4-yl]-N-(cyanomethyl)benzamide CAS Name: 4-[2-[4-(4-acetyl-1-piperazinyl)anilino]-4-pyrimidinyl]-N-(cyanomethyl)benzamide IUPAC Name: 4-[2-[4-(4-acetylpiperazin-1-yl)anilino]pyrimidin-4-yl]-N-(cyanomethyl)benzamide Traditional Name: 4-[2-[4-(4-acetylpiperazino)anilino]pyrimidin-4-yl]-N-(cyanomethyl)benzamide Formula: C25H25N7O2 MolecularWeight: 455.5117

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)C(=O)NCC#N

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)C(=O)NCC#N

InChI

InChI=1S/C25H25N7O2/c1-18(33)31-14-16-32(17-15-31)22-8-6-21(7-9-22)29-25-28-12-10-23(30-25)19-2-4-20(5-3-19)24(34)27-13-11-26/h2-10,12H,13-17H2,1H3,(H,27,34)(H,28,29,30)