1-[(3S)-5-(1,3-benzodioxol-5-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one

Systemtic Name: 1-[(3S)-5-(1,3-benzodioxol-5-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one Openeye Name: 1-[(3S)-5-(1,3-benzodioxol-5-yl)-3-(2-furyl)-3,4-dihydropyrazol-2-yl]propan-1-one CAS Name: 1-[(3S)-5-(1,3-benzodioxol-5-yl)-3-(2-furanyl)-3,4-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 1-[(3S)-5-(1,3-benzodioxol-5-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one Traditional Name: 1-[(5S)-3-(1,3-benzodioxol-5-yl)-5-(2-furyl)-2-pyrazolin-1-yl]propan-1-one Formula: C17H16N2O4 MolecularWeight: 312.31994

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(CC(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=CO4

Isomeric SMILES

CCC(=O)N1[C@@H](CC(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=CO4

InChI

InChI=1S/C17H16N2O4/c1-2-17(20)19-13(14-4-3-7-21-14)9-12(18-19)11-5-6-15-16(8-11)23-10-22-15/h3-8,13H,2,9-10H2,1H3/t13-/m0/s1