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

Systemtic Name: [2-(7-chloranyl-1,8-naphthyridin-2-yl)-3-oxidanylidene-1H-isoindol-1-yl] 4-but-3-enylpiperazine-1-carboxylate Openeye Name: [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-isoindolin-1-yl] 4-but-3-enylpiperazine-1-carboxylate CAS Name: 4-but-3-enyl-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-but-3-enylpiperazine-1-carboxylate Traditional Name: 4-but-3-enylpiperazine-1-carboxylic acid [2-(7-chloro-1,8-naphthyridin-2-yl)-3-keto-isoindolin-1-yl] ester Formula: C25H24ClN5O3 MolecularWeight: 477.94276

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCN1CCN(CC1)C(=O)OC2C3=CC=CC=C3C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl

Isomeric SMILES

C=CCCN1CCN(CC1)C(=O)OC2C3=CC=CC=C3C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl

InChI

InChI=1S/C25H24ClN5O3/c1-2-3-12-29-13-15-30(16-14-29)25(33)34-24-19-7-5-4-6-18(19)23(32)31(24)21-11-9-17-8-10-20(26)27-22(17)28-21/h2,4-11,24H,1,3,12-16H2