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

Systemtic Name: 3-[4-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-piperazin-1-yl-phenyl]-6-fluoranyl-indazole-1-carboxamide Openeye Name: 6-fluoro-3-[4-(2-isoindolin-2-ylethyl)-2-piperazin-1-yl-phenyl]indazole-1-carboxamide CAS Name: 3-[4-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-(1-piperazinyl)phenyl]-6-fluoro-1-indazolecarboxamide IUPAC Name: 3-[4-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-piperazin-1-ylphenyl]-6-fluoroindazole-1-carboxamide Traditional Name: 6-fluoro-3-[4-(2-isoindolin-2-ylethyl)-2-piperazino-phenyl]indazole-1-carboxamide Formula: C28H29FN6O MolecularWeight: 484.567863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=CC(=C2)CCN3CC4=CC=CC=C4C3)C5=NN(C6=C5C=CC(=C6)F)C(=O)N

Isomeric SMILES

C1CN(CCN1)C2=C(C=CC(=C2)CCN3CC4=CC=CC=C4C3)C5=NN(C6=C5C=CC(=C6)F)C(=O)N

InChI

InChI=1S/C28H29FN6O/c29-22-6-8-24-26(16-22)35(28(30)36)32-27(24)23-7-5-19(15-25(23)34-13-10-31-11-14-34)9-12-33-17-20-3-1-2-4-21(20)18-33/h1-8,15-16,31H,9-14,17-18H2,(H2,30,36)