6-[3-oxidanylidene-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-ylpyridin-3-yl)pyridine-2-carboxamide

Systemtic Name: 6-[3-oxidanylidene-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-ylpyridin-3-yl)pyridine-2-carboxamide Openeye Name: 6-[1-oxo-6-(tetrahydrofuran-2-ylmethoxy)isoindolin-2-yl]-N-(4-piperazin-1-yl-3-pyridyl)pyridine-2-carboxamide CAS Name: 6-[3-oxo-5-(2-oxolanylmethoxy)-1H-isoindol-2-yl]-N-[4-(1-piperazinyl)-3-pyridinyl]-2-pyridinecarboxamide IUPAC Name: 6-[3-oxo-5-(oxolan-2-ylmethoxy)-1H-isoindol-2-yl]-N-(4-piperazin-1-ylpyridin-3-yl)pyridine-2-carboxamide Traditional Name: 6-[1-keto-6-(tetrahydrofurfuryloxy)isoindolin-2-yl]-N-(4-piperazino-3-pyridyl)picolinamide Formula: C28H30N6O4 MolecularWeight: 514.5756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC2=CC3=C(CN(C3=O)C4=CC=CC(=N4)C(=O)NC5=C(C=CN=C5)N6CCNCC6)C=C2

Isomeric SMILES

C1CC(OC1)COC2=CC3=C(CN(C3=O)C4=CC=CC(=N4)C(=O)NC5=C(C=CN=C5)N6CCNCC6)C=C2

InChI

InChI=1S/C28H30N6O4/c35-27(32-24-16-30-9-8-25(24)33-12-10-29-11-13-33)23-4-1-5-26(31-23)34-17-19-6-7-20(15-22(19)28(34)36)38-18-21-3-2-14-37-21/h1,4-9,15-16,21,29H,2-3,10-14,17-18H2,(H,32,35)