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

Systemtic Name: N-[6-(1,3-benzodioxol-5-yl)-5-cyano-2-phenyl-pyrimidin-4-yl]butanamide Openeye Name: N-[6-(1,3-benzodioxol-5-yl)-5-cyano-2-phenyl-pyrimidin-4-yl]butanamide CAS Name: N-[6-(1,3-benzodioxol-5-yl)-5-cyano-2-phenyl-4-pyrimidinyl]butanamide IUPAC Name: N-[6-(1,3-benzodioxol-5-yl)-5-cyano-2-phenylpyrimidin-4-yl]butanamide Traditional Name: N-[6-(1,3-benzodioxol-5-yl)-5-cyano-2-phenyl-pyrimidin-4-yl]butyramide Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O3/c1-2-6-19(27)24-22-16(12-23)20(15-9-10-17-18(11-15)29-13-28-17)25-21(26-22)14-7-4-3-5-8-14/h3-5,7-11H,2,6,13H2,1H3,(H,24,25,26,27)