[3-[(6-phenylpyrimidin-4-yl)amino]phenyl] (E)-2-cyano-3-phenyl-prop-2-enoate

Systemtic Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] (E)-2-cyano-3-phenyl-prop-2-enoate Openeye Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] (E)-2-cyano-3-phenyl-prop-2-enoate CAS Name: (E)-2-cyano-3-phenyl-2-propenoic acid [3-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] (E)-2-cyano-3-phenylprop-2-enoate Traditional Name: (E)-2-cyano-3-phenyl-acrylic acid [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C26H18N4O2 MolecularWeight: 418.44672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C(C#N)C(=O)OC2=CC=CC(=C2)NC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OC2=CC=CC(=C2)NC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H18N4O2/c27-17-21(14-19-8-3-1-4-9-19)26(31)32-23-13-7-12-22(15-23)30-25-16-24(28-18-29-25)20-10-5-2-6-11-20/h1-16,18H,(H,28,29,30)/b21-14+