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

Systemtic Name: [2-(7-chloranyl-1,8-naphthyridin-2-yl)-3-oxidanylidene-1H-isoindol-1-yl] 4-(3-methylbut-2-enoyl)piperazine-1-carboxylate Openeye Name: [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-isoindolin-1-yl] 4-(3-methylbut-2-enoyl)piperazine-1-carboxylate CAS Name: 4-(3-methyl-1-oxobut-2-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-(3-methylbut-2-enoyl)piperazine-1-carboxylate Traditional Name: 4-(3-methylbut-2-enoyl)piperazine-1-carboxylic acid [2-(7-chloro-1,8-naphthyridin-2-yl)-3-keto-isoindolin-1-yl] ester Formula: C26H24ClN5O4 MolecularWeight: 505.95286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24ClN5O4/c1-16(2)15-22(33)30-11-13-31(14-12-30)26(35)36-25-19-6-4-3-5-18(19)24(34)32(25)21-10-8-17-7-9-20(27)28-23(17)29-21/h3-10,15,25H,11-14H2,1-2H3