N-[5-cyano-2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide

Systemtic Name: N-[5-cyano-2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide Openeye Name: N-[5-cyano-2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide CAS Name: N-[5-cyano-2-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]benzamide IUPAC Name: N-[5-cyano-2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide Traditional Name: N-[5-cyano-2-(4-phenylpiperazino)pyrimidin-4-yl]benzamide Formula: C22H20N6O MolecularWeight: 384.4338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC=C(C(=N3)NC(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC=C(C(=N3)NC(=O)C4=CC=CC=C4)C#N

InChI

InChI=1S/C22H20N6O/c23-15-18-16-24-22(26-20(18)25-21(29)17-7-3-1-4-8-17)28-13-11-27(12-14-28)19-9-5-2-6-10-19/h1-10,16H,11-14H2,(H,24,25,26,29)