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

Systemtic Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)propanamide Openeye Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)propanamide CAS Name: N-[2-[(4-bromophenyl)methyl]-3-pyrazolyl]-3-(3,4-dimethoxyphenyl)propanamide IUPAC Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)propanamide Traditional Name: N-[2-(4-bromobenzyl)pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)propionamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O3/c1-27-18-9-5-15(13-19(18)28-2)6-10-21(26)24-20-11-12-23-25(20)14-16-3-7-17(22)8-4-16/h3-5,7-9,11-13H,6,10,14H2,1-2H3,(H,24,26)