1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-N,N-diethyl-5-methyl-pyrazole-4-carboxamide

Systemtic Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-N,N-diethyl-5-methyl-pyrazole-4-carboxamide Openeye Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-N,N-diethyl-5-methyl-pyrazole-4-carboxamide CAS Name: 1-[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]-N,N-diethyl-5-methyl-4-pyrazolecarboxamide IUPAC Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-N,N-diethyl-5-methylpyrazole-4-carboxamide Traditional Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-N,N-diethyl-5-methyl-pyrazole-4-carboxamide Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C20H21N5O3/c1-4-24(5-2)19(26)15-11-22-25(13(15)3)20-21-9-8-16(23-20)14-6-7-17-18(10-14)28-12-27-17/h6-11H,4-5,12H2,1-3H3