3-[4-[2-(1,3-dihydroisoindol-2-yl)ethyl]piperazin-1-yl]-6-fluoranyl-N-phenyl-1,2-dihydroindazole-3-carboxamide

Systemtic Name: 3-[4-[2-(1,3-dihydroisoindol-2-yl)ethyl]piperazin-1-yl]-6-fluoranyl-N-phenyl-1,2-dihydroindazole-3-carboxamide Openeye Name: 6-fluoro-3-[4-(2-isoindolin-2-ylethyl)piperazin-1-yl]-N-phenyl-1,2-dihydroindazole-3-carboxamide CAS Name: 3-[4-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1-piperazinyl]-6-fluoro-N-phenyl-1,2-dihydroindazole-3-carboxamide IUPAC Name: 3-[4-[2-(1,3-dihydroisoindol-2-yl)ethyl]piperazin-1-yl]-6-fluoro-N-phenyl-1,2-dihydroindazole-3-carboxamide Traditional Name: 6-fluoro-3-[4-(2-isoindolin-2-ylethyl)piperazino]-N-phenyl-indazoline-3-carboxamide Formula: C28H31FN6O MolecularWeight: 486.583743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2CC3=CC=CC=C3C2)C4(C5=C(C=C(C=C5)F)NN4)C(=O)NC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CCN2CC3=CC=CC=C3C2)C4(C5=C(C=C(C=C5)F)NN4)C(=O)NC6=CC=CC=C6

InChI

InChI=1S/C28H31FN6O/c29-23-10-11-25-26(18-23)31-32-28(25,27(36)30-24-8-2-1-3-9-24)35-16-14-33(15-17-35)12-13-34-19-21-6-4-5-7-22(21)20-34/h1-11,18,31-32H,12-17,19-20H2,(H,30,36)