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

Systemtic Name: [4-chloranyl-2-(1,8-naphthyridin-2-yl)-3-oxidanylidene-1H-isoindol-1-yl] 4-prop-2-ynylpiperazine-1-carboxylate Openeye Name: [4-chloro-2-(1,8-naphthyridin-2-yl)-3-oxo-isoindolin-1-yl] 4-prop-2-ynylpiperazine-1-carboxylate CAS Name: 4-prop-2-ynyl-1-piperazinecarboxylic acid [4-chloro-2-(1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] ester IUPAC Name: [4-chloro-2-(1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] 4-prop-2-ynylpiperazine-1-carboxylate Traditional Name: 4-propargylpiperazine-1-carboxylic acid [4-chloro-3-keto-2-(1,8-naphthyridin-2-yl)isoindolin-1-yl] ester Formula: C24H20ClN5O3 MolecularWeight: 461.9003

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CCN(CC1)C(=O)OC2C3=C(C(=CC=C3)Cl)C(=O)N2C4=NC5=C(C=CC=N5)C=C4

Isomeric SMILES

C#CCN1CCN(CC1)C(=O)OC2C3=C(C(=CC=C3)Cl)C(=O)N2C4=NC5=C(C=CC=N5)C=C4

InChI

InChI=1S/C24H20ClN5O3/c1-2-11-28-12-14-29(15-13-28)24(32)33-23-17-6-3-7-18(25)20(17)22(31)30(23)19-9-8-16-5-4-10-26-21(16)27-19/h1,3-10,23H,11-15H2