N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-keto-isochroman-3-carboxamide Formula: C26H21N3O3 MolecularWeight: 423.46324

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C(=O)NCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C(OC(=O)C2=CC=CC=C21)C(=O)NCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H21N3O3/c30-25(23-15-19-11-7-8-14-22(19)26(31)32-23)27-16-20-17-29(21-12-5-2-6-13-21)28-24(20)18-9-3-1-4-10-18/h1-14,17,23H,15-16H2,(H,27,30)