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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H](OC(=O)C2=CC=CC=C21)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H17N3O3/c24-19(18-10-15-6-4-5-9-17(15)20(25)26-18)21-11-14-12-22-23(13-14)16-7-2-1-3-8-16/h1-9,12-13,18H,10-11H2,(H,21,24)/t18-/m1/s1