(3R)-N-[2-[(2,4-dimethoxyphenyl)methyl]pyrazol-3-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: (3R)-N-[2-[(2,4-dimethoxyphenyl)methyl]pyrazol-3-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3R)-N-[2-[(2,4-dimethoxyphenyl)methyl]pyrazol-3-yl]-1-oxo-isochromane-3-carboxamide CAS Name: (3R)-N-[2-[(2,4-dimethoxyphenyl)methyl]-3-pyrazolyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3R)-N-[2-[(2,4-dimethoxyphenyl)methyl]pyrazol-3-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3R)-N-[2-(2,4-dimethoxybenzyl)pyrazol-3-yl]-1-keto-isochroman-3-carboxamide Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2C(=CC=N2)NC(=O)C3CC4=CC=CC=C4C(=O)O3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN2C(=CC=N2)NC(=O)[C@H]3CC4=CC=CC=C4C(=O)O3)OC

InChI

InChI=1S/C22H21N3O5/c1-28-16-8-7-15(18(12-16)29-2)13-25-20(9-10-23-25)24-21(26)19-11-14-5-3-4-6-17(14)22(27)30-19/h3-10,12,19H,11,13H2,1-2H3,(H,24,26)/t19-/m1/s1