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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N4C=CC=C4

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N4C=CC=C4

InChI

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