tert-butyl 4-[[3-(3-imidazol-1-ylprop-1-ynyl)-5-oxidanylidene-1,6-naphthyridin-6-yl]methyl]benzoate

Systemtic Name: tert-butyl 4-[[3-(3-imidazol-1-ylprop-1-ynyl)-5-oxidanylidene-1,6-naphthyridin-6-yl]methyl]benzoate Openeye Name: tert-butyl 4-[[3-(3-imidazol-1-ylprop-1-ynyl)-5-oxo-1,6-naphthyridin-6-yl]methyl]benzoate CAS Name: 4-[[3-[3-(1-imidazolyl)prop-1-ynyl]-5-oxo-1,6-naphthyridin-6-yl]methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(3-imidazol-1-ylprop-1-ynyl)-5-oxo-1,6-naphthyridin-6-yl]methyl]benzoate Traditional Name: 4-[[3-(3-imidazol-1-ylprop-1-ynyl)-5-keto-1,6-naphthyridin-6-yl]methyl]benzoic acid tert-butyl ester Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)CN2C=CC3=C(C2=O)C=C(C=N3)C#CCN4C=CN=C4

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)CN2C=CC3=C(C2=O)C=C(C=N3)C#CCN4C=CN=C4

InChI

InChI=1S/C26H24N4O3/c1-26(2,3)33-25(32)21-8-6-19(7-9-21)17-30-13-10-23-22(24(30)31)15-20(16-28-23)5-4-12-29-14-11-27-18-29/h6-11,13-16,18H,12,17H2,1-3H3