N-[4-(2-cyanopropan-2-yl)-3-pyrimidin-5-yl-phenyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[4-(2-cyanopropan-2-yl)-3-pyrimidin-5-yl-phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[4-(1-cyano-1-methyl-ethyl)-3-pyrimidin-5-yl-phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[4-(2-cyanopropan-2-yl)-3-(5-pyrimidinyl)phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[4-(2-cyanopropan-2-yl)-3-pyrimidin-5-ylphenyl]-3,4-dimethoxybenzamide Traditional Name: N-[4-(1-cyano-1-methyl-ethyl)-3-(5-pyrimidyl)phenyl]-3,4-dimethoxy-benzamide Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)OC)C3=CN=CN=C3

Isomeric SMILES

CC(C)(C#N)C1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)OC)C3=CN=CN=C3

InChI

InChI=1S/C23H22N4O3/c1-23(2,13-24)19-7-6-17(10-18(19)16-11-25-14-26-12-16)27-22(28)15-5-8-20(29-3)21(9-15)30-4/h5-12,14H,1-4H3,(H,27,28)