4-[2-chloranyl-6-(5-cyano-2-phenylmethoxy-phenoxy)pyrimidin-4-yl]benzamide

Systemtic Name: 4-[2-chloranyl-6-(5-cyano-2-phenylmethoxy-phenoxy)pyrimidin-4-yl]benzamide Openeye Name: 4-[6-(2-benzyloxy-5-cyano-phenoxy)-2-chloro-pyrimidin-4-yl]benzamide CAS Name: 4-[2-chloro-6-(5-cyano-2-phenylmethoxyphenoxy)-4-pyrimidinyl]benzamide IUPAC Name: 4-[2-chloro-6-(5-cyano-2-phenylmethoxyphenoxy)pyrimidin-4-yl]benzamide Traditional Name: 4-[6-(2-benzoxy-5-cyano-phenoxy)-2-chloro-pyrimidin-4-yl]benzamide Formula: C25H17ClN4O3 MolecularWeight: 456.88048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C#N)OC3=NC(=NC(=C3)C4=CC=C(C=C4)C(=O)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C#N)OC3=NC(=NC(=C3)C4=CC=C(C=C4)C(=O)N)Cl

InChI

InChI=1S/C25H17ClN4O3/c26-25-29-20(18-7-9-19(10-8-18)24(28)31)13-23(30-25)33-22-12-17(14-27)6-11-21(22)32-15-16-4-2-1-3-5-16/h1-13H,15H2,(H2,28,31)