methyl N-[6-[2-(3-ethynylphenyl)-1-oxidanyl-3-oxidanylidene-isoindol-1-yl]-1H-benzimidazol-2-yl]carbamate

Systemtic Name: methyl N-[6-[2-(3-ethynylphenyl)-1-oxidanyl-3-oxidanylidene-isoindol-1-yl]-1H-benzimidazol-2-yl]carbamate Openeye Name: methyl N-[6-[2-(3-ethynylphenyl)-1-hydroxy-3-oxo-isoindolin-1-yl]-1H-benzimidazol-2-yl]carbamate CAS Name: N-[6-[2-(3-ethynylphenyl)-1-hydroxy-3-oxo-1-isoindolyl]-1H-benzimidazol-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[6-[2-(3-ethynylphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate Traditional Name: N-[6-[2-(3-ethynylphenyl)-1-hydroxy-3-keto-isoindolin-1-yl]-1H-benzimidazol-2-yl]carbamic acid methyl ester Formula: C25H18N4O4 MolecularWeight: 438.43482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1)C=C(C=C2)C3(C4=CC=CC=C4C(=O)N3C5=CC=CC(=C5)C#C)O

Isomeric SMILES

COC(=O)NC1=NC2=C(N1)C=C(C=C2)C3(C4=CC=CC=C4C(=O)N3C5=CC=CC(=C5)C#C)O

InChI

InChI=1S/C25H18N4O4/c1-3-15-7-6-8-17(13-15)29-22(30)18-9-4-5-10-19(18)25(29,32)16-11-12-20-21(14-16)27-23(26-20)28-24(31)33-2/h1,4-14,32H,2H3,(H2,26,27,28,31)