N-[6-(1,3-benzodioxol-5-yl)-5-cyano-2-phenyl-pyrimidin-4-yl]-2-ethyl-butanamide

Systemtic Name: N-[6-(1,3-benzodioxol-5-yl)-5-cyano-2-phenyl-pyrimidin-4-yl]-2-ethyl-butanamide Openeye Name: N-[6-(1,3-benzodioxol-5-yl)-5-cyano-2-phenyl-pyrimidin-4-yl]-2-ethyl-butanamide CAS Name: N-[6-(1,3-benzodioxol-5-yl)-5-cyano-2-phenyl-4-pyrimidinyl]-2-ethylbutanamide IUPAC Name: N-[6-(1,3-benzodioxol-5-yl)-5-cyano-2-phenylpyrimidin-4-yl]-2-ethylbutanamide Traditional Name: N-[6-(1,3-benzodioxol-5-yl)-5-cyano-2-phenyl-pyrimidin-4-yl]-2-ethyl-butyramide Formula: C24H22N4O3 MolecularWeight: 414.45648

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=NC(=NC(=C1C#N)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CCC(CC)C(=O)NC1=NC(=NC(=C1C#N)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C24H22N4O3/c1-3-15(4-2)24(29)28-23-18(13-25)21(17-10-11-19-20(12-17)31-14-30-19)26-22(27-23)16-8-6-5-7-9-16/h5-12,15H,3-4,14H2,1-2H3,(H,26,27,28,29)