(3S)-N-(1-methylpyrazol-3-yl)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: (3S)-N-(1-methylpyrazol-3-yl)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3S)-N-(1-methylpyrazol-3-yl)-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: (3S)-N-(1-methyl-3-pyrazolyl)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3S)-N-(1-methylpyrazol-3-yl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3S)-1-keto-N-(1-methylpyrazol-3-yl)-3-phenyl-isochroman-6-carboxamide Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4

Isomeric SMILES

CN1C=CC(=N1)NC(=O)C2=CC3=C(C=C2)C(=O)O[C@@H](C3)C4=CC=CC=C4

InChI

InChI=1S/C20H17N3O3/c1-23-10-9-18(22-23)21-19(24)14-7-8-16-15(11-14)12-17(26-20(16)25)13-5-3-2-4-6-13/h2-11,17H,12H2,1H3,(H,21,22,24)/t17-/m0/s1