(3S)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: (3S)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3S)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: (3S)-N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3S)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-keto-3-phenyl-isochroman-6-carboxamide Formula: C27H23N3O3 MolecularWeight: 437.48982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C3=CC4=C(C=C3)C(=O)OC(C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C3=CC4=C(C=C3)C(=O)O[C@@H](C4)C5=CC=CC=C5

InChI

InChI=1S/C27H23N3O3/c1-17-25(18(2)30(29-17)22-11-7-4-8-12-22)28-26(31)20-13-14-23-21(15-20)16-24(33-27(23)32)19-9-5-3-6-10-19/h3-15,24H,16H2,1-2H3,(H,28,31)/t24-/m0/s1