3-(1,3-benzodioxol-5-yl)-N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]propionamide Formula: C26H22FN3O3 MolecularWeight: 443.469583

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC(=O)NCC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC(=O)NCC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C26H22FN3O3/c27-21-10-8-19(9-11-21)26-20(16-30(29-26)22-4-2-1-3-5-22)15-28-25(31)13-7-18-6-12-23-24(14-18)33-17-32-23/h1-6,8-12,14,16H,7,13,15,17H2,(H,28,31)