1H-isoindol-1-yl 2-(7-bromanyl-1,8-naphthyridin-2-yl)-5-methyl-3-oxidanylidene-hexanoate

Systemtic Name: 1H-isoindol-1-yl 2-(7-bromanyl-1,8-naphthyridin-2-yl)-5-methyl-3-oxidanylidene-hexanoate Openeye Name: 1H-isoindol-1-yl 2-(7-bromo-1,8-naphthyridin-2-yl)-5-methyl-3-oxo-hexanoate CAS Name: 2-(7-bromo-1,8-naphthyridin-2-yl)-5-methyl-3-oxohexanoic acid 1H-isoindol-1-yl ester IUPAC Name: 1H-isoindol-1-yl 2-(7-bromo-1,8-naphthyridin-2-yl)-5-methyl-3-oxohexanoate Traditional Name: 2-(7-bromo-1,8-naphthyridin-2-yl)-3-keto-5-methyl-hexanoic acid 1H-isoindol-1-yl ester Formula: C23H20BrN3O3 MolecularWeight: 466.3272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C(C1=NC2=C(C=C1)C=CC(=N2)Br)C(=O)OC3C4=CC=CC=C4C=N3

Isomeric SMILES

CC(C)CC(=O)C(C1=NC2=C(C=C1)C=CC(=N2)Br)C(=O)OC3C4=CC=CC=C4C=N3

InChI

InChI=1S/C23H20BrN3O3/c1-13(2)11-18(28)20(17-9-7-14-8-10-19(24)27-21(14)26-17)23(29)30-22-16-6-4-3-5-15(16)12-25-22/h3-10,12-13,20,22H,11H2,1-2H3