N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-keto-3-methyl-isochroman-3-carboxamide Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C3(CC4=CC=CC=C4C(=O)O3)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C3(CC4=CC=CC=C4C(=O)O3)C

InChI

InChI=1S/C22H21N3O3/c1-14-19(15(2)25(24-14)17-10-5-4-6-11-17)23-21(27)22(3)13-16-9-7-8-12-18(16)20(26)28-22/h4-12H,13H2,1-3H3,(H,23,27)