3-[[4-(4-methyl-3-oxidanylidene-2-phenyl-piperazin-1-yl)pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[4-(4-methyl-3-oxidanylidene-2-phenyl-piperazin-1-yl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[4-(4-methyl-3-oxo-2-phenyl-piperazin-1-yl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-[[4-(4-methyl-3-oxo-2-phenyl-1-piperazinyl)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[4-(4-methyl-3-oxo-2-phenylpiperazin-1-yl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-[[4-(3-keto-4-methyl-2-phenyl-piperazino)pyrimidin-2-yl]amino]benzonitrile Formula: C22H20N6O MolecularWeight: 384.4338

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1=O)C2=CC=CC=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C#N

Isomeric SMILES

CN1CCN(C(C1=O)C2=CC=CC=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H20N6O/c1-27-12-13-28(20(21(27)29)17-7-3-2-4-8-17)19-10-11-24-22(26-19)25-18-9-5-6-16(14-18)15-23/h2-11,14,20H,12-13H2,1H3,(H,24,25,26)