(3R)-N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: (3R)-N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3R)-N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-1-oxo-isochromane-3-carboxamide CAS Name: (3R)-N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3R)-N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3R)-N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-1-keto-isochroman-3-carboxamide Formula: C18H13BrN4O3 MolecularWeight: 413.22482

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C(=O)NC3=NNC(=N3)C4=CC=CC=C4Br

Isomeric SMILES

C1[C@@H](OC(=O)C2=CC=CC=C21)C(=O)NC3=NNC(=N3)C4=CC=CC=C4Br

InChI

InChI=1S/C18H13BrN4O3/c19-13-8-4-3-7-12(13)15-20-18(23-22-15)21-16(24)14-9-10-5-1-2-6-11(10)17(25)26-14/h1-8,14H,9H2,(H2,20,21,22,23,24)/t14-/m1/s1