N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-3-methyl-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: 1-(4-fluorophenyl)-N-homoveratryl-3-methyl-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C25H25FN4O3 MolecularWeight: 448.489403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCCC2=CC(=C(C=C2)OC)OC)N3C=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCCC2=CC(=C(C=C2)OC)OC)N3C=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H25FN4O3/c1-17-23(24(31)27-13-12-18-6-11-21(32-2)22(16-18)33-3)25(29-14-4-5-15-29)30(28-17)20-9-7-19(26)8-10-20/h4-11,14-16H,12-13H2,1-3H3,(H,27,31)