(3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: (3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: (3S)-N-[(1-methyl-2-benzimidazolyl)methyl]-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3S)-1-keto-N-[(1-methylbenzimidazol-2-yl)methyl]-3-phenyl-isochroman-6-carboxamide Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CNC(=O)C3=CC4=C(C=C3)C(=O)OC(C4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CNC(=O)C3=CC4=C(C=C3)C(=O)O[C@@H](C4)C5=CC=CC=C5

InChI

InChI=1S/C25H21N3O3/c1-28-21-10-6-5-9-20(21)27-23(28)15-26-24(29)17-11-12-19-18(13-17)14-22(31-25(19)30)16-7-3-2-4-8-16/h2-13,22H,14-15H2,1H3,(H,26,29)/t22-/m0/s1