3-(4-chlorophenyl)-N-[(3,4-diethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(4-chlorophenyl)-N-[(3,4-diethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-(4-chlorophenyl)-N-[(3,4-diethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide CAS Name: 3-(4-chlorophenyl)-N-[(3,4-diethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-chlorophenyl)-N-[(3,4-diethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-(4-chlorophenyl)-N-(3,4-diethoxybenzyl)-1H-pyrazole-5-carboxamide Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Cl)OCC

InChI

InChI=1S/C21H22ClN3O3/c1-3-27-19-10-5-14(11-20(19)28-4-2)13-23-21(26)18-12-17(24-25-18)15-6-8-16(22)9-7-15/h5-12H,3-4,13H2,1-2H3,(H,23,26)(H,24,25)