3-[(3R)-3-(1,3-benzodioxol-5-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one

Systemtic Name: 3-[(3R)-3-(1,3-benzodioxol-5-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one Openeye Name: 3-[(3R)-3-(1,3-benzodioxol-5-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one CAS Name: 3-[(3R)-3-(1,3-benzodioxol-5-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1-benzopyran-2-one IUPAC Name: 3-[(3R)-3-(1,3-benzodioxol-5-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one Traditional Name: 3-[(5R)-5-(1,3-benzodioxol-5-yl)-1-phenyl-2-pyrazolin-3-yl]coumarin Formula: C25H18N2O4 MolecularWeight: 410.42142

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC3=CC=CC=C3OC2=O)C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1[C@@H](N(N=C1C2=CC3=CC=CC=C3OC2=O)C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H18N2O4/c28-25-19(12-17-6-4-5-9-22(17)31-25)20-14-21(27(26-20)18-7-2-1-3-8-18)16-10-11-23-24(13-16)30-15-29-23/h1-13,21H,14-15H2/t21-/m1/s1