(E)-3-(1,3-benzodioxol-5-yl)-N-[5-methyl-2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[5-methyl-2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-3-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-keto-6-propyl-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]acrylamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N5O4/c1-3-4-15-11-20(28)24-21(22-15)26-18(9-13(2)25-26)23-19(27)8-6-14-5-7-16-17(10-14)30-12-29-16/h5-11H,3-4,12H2,1-2H3,(H,23,27)(H,22,24,28)/b8-6+