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

Systemtic Name: [2-(7-chloranyl-1,8-naphthyridin-2-yl)-3-oxidanylidene-1H-isoindol-1-yl] 4-phenylpiperazine-1-carboxylate Openeye Name: [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-isoindolin-1-yl] 4-phenylpiperazine-1-carboxylate CAS Name: 4-phenyl-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-phenylpiperazine-1-carboxylate Traditional Name: 4-phenylpiperazine-1-carboxylic acid [2-(7-chloro-1,8-naphthyridin-2-yl)-3-keto-isoindolin-1-yl] ester Formula: C27H22ClN5O3 MolecularWeight: 499.94828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)OC3C4=CC=CC=C4C(=O)N3C5=NC6=C(C=C5)C=CC(=N6)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)OC3C4=CC=CC=C4C(=O)N3C5=NC6=C(C=C5)C=CC(=N6)Cl

InChI

InChI=1S/C27H22ClN5O3/c28-22-12-10-18-11-13-23(30-24(18)29-22)33-25(34)20-8-4-5-9-21(20)26(33)36-27(35)32-16-14-31(15-17-32)19-6-2-1-3-7-19/h1-13,26H,14-17H2