N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methoxyphenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C26H23N3O4 MolecularWeight: 441.47852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NCC3COC4=CC=CC=C4O3)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NC[C@H]3COC4=CC=CC=C4O3)C5=CC=CC=C5

InChI

InChI=1S/C26H23N3O4/c1-31-20-11-7-8-18(14-20)25-22(16-29(28-25)19-9-3-2-4-10-19)26(30)27-15-21-17-32-23-12-5-6-13-24(23)33-21/h2-14,16,21H,15,17H2,1H3,(H,27,30)/t21-/m0/s1