3-[6-chloranyl-2-(4-dimethylaminophenyl)pyrimidin-4-yl]oxy-4-phenylmethoxy-benzenecarbonitrile

Systemtic Name: 3-[6-chloranyl-2-(4-dimethylaminophenyl)pyrimidin-4-yl]oxy-4-phenylmethoxy-benzenecarbonitrile Openeye Name: 4-benzyloxy-3-[6-chloro-2-(4-dimethylaminophenyl)pyrimidin-4-yl]oxy-benzonitrile CAS Name: 3-[[6-chloro-2-(4-dimethylaminophenyl)-4-pyrimidinyl]oxy]-4-phenylmethoxybenzonitrile IUPAC Name: 3-[6-chloro-2-(4-dimethylaminophenyl)pyrimidin-4-yl]oxy-4-phenylmethoxybenzonitrile Traditional Name: 4-benzoxy-3-[6-chloro-2-(4-dimethylaminophenyl)pyrimidin-4-yl]oxy-benzonitrile Formula: C26H21ClN4O2 MolecularWeight: 456.92354

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=NC(=CC(=N2)Cl)OC3=C(C=CC(=C3)C#N)OCC4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=NC(=CC(=N2)Cl)OC3=C(C=CC(=C3)C#N)OCC4=CC=CC=C4

InChI

InChI=1S/C26H21ClN4O2/c1-31(2)21-11-9-20(10-12-21)26-29-24(27)15-25(30-26)33-23-14-19(16-28)8-13-22(23)32-17-18-6-4-3-5-7-18/h3-15H,17H2,1-2H3