1-[(4-tert-butylphenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(4-tert-butylphenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-tert-butylphenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide CAS Name: 1-[(4-tert-butylphenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-tert-butylphenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-tert-butylphenoxy)methyl]-N-(3,4-diethoxybenzyl)pyrazole-3-carboxamide Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)C(C)(C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)C(C)(C)C)OCC

InChI

InChI=1S/C26H33N3O4/c1-6-31-23-13-8-19(16-24(23)32-7-2)17-27-25(30)22-14-15-29(28-22)18-33-21-11-9-20(10-12-21)26(3,4)5/h8-16H,6-7,17-18H2,1-5H3,(H,27,30)