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

Systemtic Name: 3-[[4-(3-oxidanylidene-2-phenyl-piperazin-1-yl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[4-(3-oxo-2-phenyl-piperazin-1-yl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-[[4-(3-oxo-2-phenyl-1-piperazinyl)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[4-(3-oxo-2-phenylpiperazin-1-yl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-[[4-(3-keto-2-phenyl-piperazino)pyrimidin-2-yl]amino]benzonitrile Formula: C21H18N6O MolecularWeight: 370.40722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)C2=CC=CC=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(C(C(=O)N1)C2=CC=CC=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H18N6O/c22-14-15-5-4-8-17(13-15)25-21-24-10-9-18(26-21)27-12-11-23-20(28)19(27)16-6-2-1-3-7-16/h1-10,13,19H,11-12H2,(H,23,28)(H,24,25,26)