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

Systemtic Name: 3-[2-chloranyl-6-(4-dimethylaminophenyl)pyrimidin-4-yl]oxy-4-phenylmethoxy-benzenecarbonitrile Openeye Name: 4-benzyloxy-3-[2-chloro-6-(4-dimethylaminophenyl)pyrimidin-4-yl]oxy-benzonitrile CAS Name: 3-[[2-chloro-6-(4-dimethylaminophenyl)-4-pyrimidinyl]oxy]-4-phenylmethoxybenzonitrile IUPAC Name: 3-[2-chloro-6-(4-dimethylaminophenyl)pyrimidin-4-yl]oxy-4-phenylmethoxybenzonitrile Traditional Name: 4-benzoxy-3-[2-chloro-6-(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=CC(=NC(=N2)Cl)OC3=C(C=CC(=C3)C#N)OCC4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=CC(=NC(=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)22-15-25(30-26(27)29-22)33-24-14-19(16-28)8-13-23(24)32-17-18-6-4-3-5-7-18/h3-15H,17H2,1-2H3