N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide Formula: C20H20BrN3O3 MolecularWeight: 430.2951

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC(=NN2)C3=CC=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC(=NN2)C3=CC=CC=C3)Br)OC

InChI

InChI=1S/C20H20BrN3O3/c1-26-18-10-14(15(21)11-19(18)27-2)8-9-22-20(25)17-12-16(23-24-17)13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H,22,25)(H,23,24)