N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(1-phenyl-4-pyrazolyl)propanamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-(1-phenylpyrazol-4-yl)propionamide Formula: C22H24BrN3O3 MolecularWeight: 458.34826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)CCC2=CN(N=C2)C3=CC=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)CCC2=CN(N=C2)C3=CC=CC=C3)Br)OC

InChI

InChI=1S/C22H24BrN3O3/c1-28-20-12-17(19(23)13-21(20)29-2)10-11-24-22(27)9-8-16-14-25-26(15-16)18-6-4-3-5-7-18/h3-7,12-15H,8-11H2,1-2H3,(H,24,27)