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

Systemtic Name: 3-[[4-[3-oxidanylidene-2-phenyl-4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[4-(4-benzyl-3-oxo-2-phenyl-piperazin-1-yl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-[[4-[3-oxo-2-phenyl-4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[4-(4-benzyl-3-oxo-2-phenylpiperazin-1-yl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-[[4-(4-benzyl-3-keto-2-phenyl-piperazino)pyrimidin-2-yl]amino]benzonitrile Formula: C28H24N6O MolecularWeight: 460.52976

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1CC2=CC=CC=C2)C3=CC=CC=C3)C4=NC(=NC=C4)NC5=CC=CC(=C5)C#N

Isomeric SMILES

C1CN(C(C(=O)N1CC2=CC=CC=C2)C3=CC=CC=C3)C4=NC(=NC=C4)NC5=CC=CC(=C5)C#N

InChI

InChI=1S/C28H24N6O/c29-19-22-10-7-13-24(18-22)31-28-30-15-14-25(32-28)34-17-16-33(20-21-8-3-1-4-9-21)27(35)26(34)23-11-5-2-6-12-23/h1-15,18,26H,16-17,20H2,(H,30,31,32)