1-[(3-chloranylphenoxy)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(3-chloranylphenoxy)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazole-3-carboxamide Openeye Name: 1-[(3-chlorophenoxy)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazole-3-carboxamide CAS Name: 1-[(3-chlorophenoxy)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(3-chlorophenoxy)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazole-3-carboxamide Traditional Name: 1-[(3-chlorophenoxy)methyl]-N-homoveratryl-pyrazole-3-carboxamide Formula: C21H22ClN3O4 MolecularWeight: 415.87008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=NN(C=C2)COC3=CC(=CC=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=NN(C=C2)COC3=CC(=CC=C3)Cl)OC

InChI

InChI=1S/C21H22ClN3O4/c1-27-19-7-6-15(12-20(19)28-2)8-10-23-21(26)18-9-11-25(24-18)14-29-17-5-3-4-16(22)13-17/h3-7,9,11-13H,8,10,14H2,1-2H3,(H,23,26)