2-[2-[1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[2-[1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[2-[1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[2-[1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[2-keto-2-[1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2,5-dimethyl-pyrrol-3-yl]ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)CN4C(=O)C5CC=CCC5C4=O

Isomeric SMILES

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)CN4C(=O)C5CC=CCC5C4=O

InChI

InChI=1S/C27H28N4O4/c1-16-14-22(23(32)15-29-25(33)20-12-8-9-13-21(20)26(29)34)17(2)30(16)24-18(3)28(4)31(27(24)35)19-10-6-5-7-11-19/h5-11,14,20-21H,12-13,15H2,1-4H3