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

Systemtic Name: [2-(7-chloranyl-1,8-naphthyridin-2-yl)-3-oxidanylidene-1H-isoindol-1-yl] 4-pyridin-4-ylcarbonylpiperazine-1-carboxylate Openeye Name: [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-isoindolin-1-yl] 4-(pyridine-4-carbonyl)piperazine-1-carboxylate CAS Name: 4-[oxo(pyridin-4-yl)methyl]-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-(pyridine-4-carbonyl)piperazine-1-carboxylate Traditional Name: 4-isonicotinoylpiperazine-1-carboxylic acid [2-(7-chloro-1,8-naphthyridin-2-yl)-3-keto-isoindolin-1-yl] ester Formula: C27H21ClN6O4 MolecularWeight: 528.94644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=NC=C2)C(=O)OC3C4=CC=CC=C4C(=O)N3C5=NC6=C(C=C5)C=CC(=N6)Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=NC=C2)C(=O)OC3C4=CC=CC=C4C(=O)N3C5=NC6=C(C=C5)C=CC(=N6)Cl

InChI

InChI=1S/C27H21ClN6O4/c28-21-7-5-17-6-8-22(31-23(17)30-21)34-25(36)19-3-1-2-4-20(19)26(34)38-27(37)33-15-13-32(14-16-33)24(35)18-9-11-29-12-10-18/h1-12,26H,13-16H2