N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: N-[[2-(1-imidazolylmethyl)phenyl]methyl]-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: N-[2-(imidazol-1-ylmethyl)benzyl]-1-keto-3-phenyl-isochroman-6-carboxamide Formula: C27H23N3O3 MolecularWeight: 437.48982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=C1C=C(C=C2)C(=O)NCC3=CC=CC=C3CN4C=CN=C4)C5=CC=CC=C5

Isomeric SMILES

C1C(OC(=O)C2=C1C=C(C=C2)C(=O)NCC3=CC=CC=C3CN4C=CN=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H23N3O3/c31-26(29-16-21-8-4-5-9-22(21)17-30-13-12-28-18-30)20-10-11-24-23(14-20)15-25(33-27(24)32)19-6-2-1-3-7-19/h1-14,18,25H,15-17H2,(H,29,31)