N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[[2-(1-imidazolylmethyl)phenyl]methyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-[2-(imidazol-1-ylmethyl)benzyl]-1-keto-isochroman-3-carboxamide Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C(=O)NCC3=CC=CC=C3CN4C=CN=C4

Isomeric SMILES

C1C(OC(=O)C2=CC=CC=C21)C(=O)NCC3=CC=CC=C3CN4C=CN=C4

InChI

InChI=1S/C21H19N3O3/c25-20(19-11-15-5-3-4-8-18(15)21(26)27-19)23-12-16-6-1-2-7-17(16)13-24-10-9-22-14-24/h1-10,14,19H,11-13H2,(H,23,25)