O4-tert-butyl O1-[2-(7-chloranyl-1,8-naphthyridin-2-yl)-3-oxidanylidene-1H-isoindol-1-yl] piperazine-1,4-dicarboxylate

Systemtic Name: O4-tert-butyl O1-[2-(7-chloranyl-1,8-naphthyridin-2-yl)-3-oxidanylidene-1H-isoindol-1-yl] piperazine-1,4-dicarboxylate Openeye Name: O4-tert-butyl O1-[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-isoindolin-1-yl] piperazine-1,4-dicarboxylate CAS Name: piperazine-1,4-dicarboxylic acid O4-tert-butyl ester O1-[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] ester IUPAC Name: 4-O-tert-butyl 1-O-[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] piperazine-1,4-dicarboxylate Traditional Name: piperazine-1,4-dicarboxylic acid O4-tert-butyl ester O1-[2-(7-chloro-1,8-naphthyridin-2-yl)-3-keto-isoindolin-1-yl] ester Formula: C26H26ClN5O5 MolecularWeight: 523.96814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)OC2C3=CC=CC=C3C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)OC2C3=CC=CC=C3C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl

InChI

InChI=1S/C26H26ClN5O5/c1-26(2,3)37-25(35)31-14-12-30(13-15-31)24(34)36-23-18-7-5-4-6-17(18)22(33)32(23)20-11-9-16-8-10-19(27)28-21(16)29-20/h4-11,23H,12-15H2,1-3H3