[2-(7-chloranyl-1,8-naphthyridin-2-yl)-3-oxidanylidene-1H-isoindol-1-yl] 4-butanoylpiperazine-1-carboxylate

Systemtic Name: [2-(7-chloranyl-1,8-naphthyridin-2-yl)-3-oxidanylidene-1H-isoindol-1-yl] 4-butanoylpiperazine-1-carboxylate Openeye Name: [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-isoindolin-1-yl] 4-butanoylpiperazine-1-carboxylate CAS Name: 4-(1-oxobutyl)-1-piperazinecarboxylic acid [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] ester IUPAC Name: [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] 4-butanoylpiperazine-1-carboxylate Traditional Name: 4-butyrylpiperazine-1-carboxylic acid [2-(7-chloro-1,8-naphthyridin-2-yl)-3-keto-isoindolin-1-yl] ester Formula: C25H24ClN5O4 MolecularWeight: 493.94216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClN5O4/c1-2-5-21(32)29-12-14-30(15-13-29)25(34)35-24-18-7-4-3-6-17(18)23(33)31(24)20-11-9-16-8-10-19(26)27-22(16)28-20/h3-4,6-11,24H,2,5,12-15H2,1H3