(6aS)-5-(phenylmethyl)-3-quinolin-2-ylcarbonyl-2,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione

Systemtic Name: (6aS)-5-(phenylmethyl)-3-quinolin-2-ylcarbonyl-2,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione Openeye Name: (6aS)-5-benzyl-3-(quinoline-2-carbonyl)-2,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione CAS Name: (6aS)-3-[oxo(2-quinolinyl)methyl]-5-(phenylmethyl)-2,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione IUPAC Name: (6aS)-5-benzyl-3-(quinoline-2-carbonyl)-2,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione Traditional Name: (6aS)-5-benzyl-3-quinaldoyl-2,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-quinone Formula: C22H16N4O3 MolecularWeight: 384.38744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3C(=C(NN3)C(=O)C4=NC5=CC=CC=C5C=C4)C2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)[C@@H]3C(=C(NN3)C(=O)C4=NC5=CC=CC=C5C=C4)C2=O

InChI

InChI=1S/C22H16N4O3/c27-20(16-11-10-14-8-4-5-9-15(14)23-16)18-17-19(25-24-18)22(29)26(21(17)28)12-13-6-2-1-3-7-13/h1-11,19,24-25H,12H2/t19-/m0/s1