2-(2,5-dimethylphenyl)-1,3-bis(oxidanylidene)-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]isoindole-5-carboxamide

Systemtic Name: 2-(2,5-dimethylphenyl)-1,3-bis(oxidanylidene)-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]isoindole-5-carboxamide Openeye Name: 2-(2,5-dimethylphenyl)-1,3-dioxo-N-[(6-pyrazol-1-yl-3-pyridyl)methyl]isoindoline-5-carboxamide CAS Name: 2-(2,5-dimethylphenyl)-1,3-dioxo-N-[[6-(1-pyrazolyl)-3-pyridinyl]methyl]-5-isoindolecarboxamide IUPAC Name: 2-(2,5-dimethylphenyl)-1,3-dioxo-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]isoindole-5-carboxamide Traditional Name: 2-(2,5-dimethylphenyl)-1,3-diketo-N-[(6-pyrazol-1-yl-3-pyridyl)methyl]isoindoline-5-carboxamide Formula: C26H21N5O3 MolecularWeight: 451.47664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCC4=CN=C(C=C4)N5C=CC=N5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCC4=CN=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C26H21N5O3/c1-16-4-5-17(2)22(12-16)31-25(33)20-8-7-19(13-21(20)26(31)34)24(32)28-15-18-6-9-23(27-14-18)30-11-3-10-29-30/h3-14H,15H2,1-2H3,(H,28,32)