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

Systemtic Name: N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[2-[(2-bromophenyl)methyl]-3-pyrazolyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-[2-(2-bromobenzyl)pyrazol-3-yl]-1-keto-isochroman-3-carboxamide Formula: C20H16BrN3O3 MolecularWeight: 426.26334

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C(=O)NC3=CC=NN3CC4=CC=CC=C4Br

Isomeric SMILES

C1C(OC(=O)C2=CC=CC=C21)C(=O)NC3=CC=NN3CC4=CC=CC=C4Br

InChI

InChI=1S/C20H16BrN3O3/c21-16-8-4-2-6-14(16)12-24-18(9-10-22-24)23-19(25)17-11-13-5-1-3-7-15(13)20(26)27-17/h1-10,17H,11-12H2,(H,23,25)