4-[(4S)-3-(4-methylphenyl)-6-oxidanylidene-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate

Systemtic Name: 4-[(4S)-3-(4-methylphenyl)-6-oxidanylidene-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate Openeye Name: 4-[(4S)-6-oxo-3-(p-tolyl)-4-(2-pyridyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate CAS Name: 4-[(4S)-3-(4-methylphenyl)-6-oxo-4-(2-pyridinyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate IUPAC Name: 4-[(4S)-3-(4-methylphenyl)-6-oxo-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate Traditional Name: 4-[(4S)-6-keto-3-(p-tolyl)-4-(2-pyridyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate Formula: C24H17N4O3- MolecularWeight: 409.41678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC3=C2C(N(C3=O)C4=CC=C(C=C4)C(=O)[O-])C5=CC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC3=C2[C@H](N(C3=O)C4=CC=C(C=C4)C(=O)[O-])C5=CC=CC=N5

InChI

InChI=1S/C24H18N4O3/c1-14-5-7-15(8-6-14)20-19-21(27-26-20)23(29)28(22(19)18-4-2-3-13-25-18)17-11-9-16(10-12-17)24(30)31/h2-13,22H,1H3,(H,26,27)(H,30,31)/p-1/t22-/m1/s1