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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-N-butyl-N,5-dimethyl-pyrazole-4-carboxamide Openeye Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-N-butyl-N,5-dimethyl-pyrazole-4-carboxamide CAS Name: 1-[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]-N-butyl-N,5-dimethyl-4-pyrazolecarboxamide IUPAC Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-N-butyl-N,5-dimethylpyrazole-4-carboxamide Traditional Name: 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-N-butyl-N,5-dimethyl-pyrazole-4-carboxamide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3/c1-4-5-10-25(3)20(27)16-12-23-26(14(16)2)21-22-9-8-17(24-21)15-6-7-18-19(11-15)29-13-28-18/h6-9,11-12H,4-5,10,13H2,1-3H3