N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)propanamide

Systemtic Name: N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)propanamide Openeye Name: N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)propanamide CAS Name: N-[2-[(3-chlorophenyl)methyl]-3-pyrazolyl]-3-(3,4-dimethoxyphenyl)propanamide IUPAC Name: N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)propanamide Traditional Name: N-[2-(3-chlorobenzyl)pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)propionamide Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC2=CC=NN2CC3=CC(=CC=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC2=CC=NN2CC3=CC(=CC=C3)Cl)OC

InChI

InChI=1S/C21H22ClN3O3/c1-27-18-8-6-15(13-19(18)28-2)7-9-21(26)24-20-10-11-23-25(20)14-16-4-3-5-17(22)12-16/h3-6,8,10-13H,7,9,14H2,1-2H3,(H,24,26)