methyl 3-oxidanylidene-2-[6-[(4-piperazin-1-ylpyridin-3-yl)carbamoyl]pyridin-2-yl]-1H-isoindole-5-carboxylate

Systemtic Name: methyl 3-oxidanylidene-2-[6-[(4-piperazin-1-ylpyridin-3-yl)carbamoyl]pyridin-2-yl]-1H-isoindole-5-carboxylate Openeye Name: methyl 3-oxo-2-[6-[(4-piperazin-1-yl-3-pyridyl)carbamoyl]-2-pyridyl]isoindoline-5-carboxylate CAS Name: 3-oxo-2-[6-[oxo-[[4-(1-piperazinyl)-3-pyridinyl]amino]methyl]-2-pyridinyl]-1H-isoindole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-oxo-2-[6-[(4-piperazin-1-ylpyridin-3-yl)carbamoyl]pyridin-2-yl]-1H-isoindole-5-carboxylate Traditional Name: 3-keto-2-[6-[(4-piperazino-3-pyridyl)carbamoyl]-2-pyridyl]isoindoline-5-carboxylic acid methyl ester Formula: C25H24N6O4 MolecularWeight: 472.49586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CN(C2=O)C3=CC=CC(=N3)C(=O)NC4=C(C=CN=C4)N5CCNCC5)C=C1

Isomeric SMILES

COC(=O)C1=CC2=C(CN(C2=O)C3=CC=CC(=N3)C(=O)NC4=C(C=CN=C4)N5CCNCC5)C=C1

InChI

InChI=1S/C25H24N6O4/c1-35-25(34)16-5-6-17-15-31(24(33)18(17)13-16)22-4-2-3-19(28-22)23(32)29-20-14-27-8-7-21(20)30-11-9-26-10-12-30/h2-8,13-14,26H,9-12,15H2,1H3,(H,29,32)