prop-2-ynyl N-[6-[1-oxidanyl-3-oxidanylidene-2-(phenylmethyl)isoindol-1-yl]-1H-benzimidazol-2-yl]carbamate

Systemtic Name: prop-2-ynyl N-[6-[1-oxidanyl-3-oxidanylidene-2-(phenylmethyl)isoindol-1-yl]-1H-benzimidazol-2-yl]carbamate Openeye Name: prop-2-ynyl N-[6-(2-benzyl-1-hydroxy-3-oxo-isoindolin-1-yl)-1H-benzimidazol-2-yl]carbamate CAS Name: N-[6-[1-hydroxy-3-oxo-2-(phenylmethyl)-1-isoindolyl]-1H-benzimidazol-2-yl]carbamic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate Traditional Name: N-[6-(2-benzyl-1-hydroxy-3-keto-isoindolin-1-yl)-1H-benzimidazol-2-yl]carbamic acid propargyl ester Formula: C26H20N4O4 MolecularWeight: 452.4614

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)NC1=NC2=C(N1)C=C(C=C2)C3(C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)O

Isomeric SMILES

C#CCOC(=O)NC1=NC2=C(N1)C=C(C=C2)C3(C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)O

InChI

InChI=1S/C26H20N4O4/c1-2-14-34-25(32)29-24-27-21-13-12-18(15-22(21)28-24)26(33)20-11-7-6-10-19(20)23(31)30(26)16-17-8-4-3-5-9-17/h1,3-13,15,33H,14,16H2,(H2,27,28,29,32)