3-(1,3-benzodioxol-5-yl)-N-[1-(4-methylphenyl)propyl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[1-(4-methylphenyl)propyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[1-(p-tolyl)propyl]-1H-pyrazole-5-carboxamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[1-(4-methylphenyl)propyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[1-(4-methylphenyl)propyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[1-(p-tolyl)propyl]-1H-pyrazole-5-carboxamide Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)NC(=O)C2=CC(=NN2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC(C1=CC=C(C=C1)C)NC(=O)C2=CC(=NN2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O3/c1-3-16(14-6-4-13(2)5-7-14)22-21(25)18-11-17(23-24-18)15-8-9-19-20(10-15)27-12-26-19/h4-11,16H,3,12H2,1-2H3,(H,22,25)(H,23,24)