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

Systemtic Name: 3-[[4-(3-oxidanylidene-2-phenyl-4-prop-2-enyl-piperazin-1-yl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[4-(4-allyl-3-oxo-2-phenyl-piperazin-1-yl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-[[4-(3-oxo-2-phenyl-4-prop-2-enyl-1-piperazinyl)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[4-(3-oxo-2-phenyl-4-prop-2-enylpiperazin-1-yl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-[[4-(4-allyl-3-keto-2-phenyl-piperazino)pyrimidin-2-yl]amino]benzonitrile Formula: C24H22N6O MolecularWeight: 410.47108

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCN(C(C1=O)C2=CC=CC=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C=CCN1CCN(C(C1=O)C2=CC=CC=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H22N6O/c1-2-13-29-14-15-30(22(23(29)31)19-8-4-3-5-9-19)21-11-12-26-24(28-21)27-20-10-6-7-18(16-20)17-25/h2-12,16,22H,1,13-15H2,(H,26,27,28)