5-[(3S)-3-(1,3-benzodioxol-5-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(3S)-3-(1,3-benzodioxol-5-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3S)-3-(1,3-benzodioxol-5-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3S)-3-(1,3-benzodioxol-5-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3S)-3-(1,3-benzodioxol-5-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5S)-5-(1,3-benzodioxol-5-yl)-3-phenyl-2-pyrazolin-1-yl]-5-keto-valerate Formula: C21H19N2O5- MolecularWeight: 379.38596

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CC=C2)C(=O)CCCC(=O)[O-])C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1[C@H](N(N=C1C2=CC=CC=C2)C(=O)CCCC(=O)[O-])C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O5/c24-20(7-4-8-21(25)26)23-17(12-16(22-23)14-5-2-1-3-6-14)15-9-10-18-19(11-15)28-13-27-18/h1-3,5-6,9-11,17H,4,7-8,12-13H2,(H,25,26)/p-1/t17-/m0/s1