3,4-dihydro-1H-isoquinolin-2-yl-[4-fluoranyl-2-(pyridin-4-ylamino)-1,3-dihydroisoindol-5-yl]carbamic acid

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-fluoranyl-2-(pyridin-4-ylamino)-1,3-dihydroisoindol-5-yl]carbamic acid Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-fluoro-2-(4-pyridylamino)isoindolin-5-yl]carbamic acid CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-fluoro-2-(pyridin-4-ylamino)-1,3-dihydroisoindol-5-yl]carbamic acid IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-fluoro-2-(pyridin-4-ylamino)-1,3-dihydroisoindol-5-yl]carbamic acid Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-fluoro-2-(4-pyridylamino)isoindolin-5-yl]carbamic acid Formula: C23H22FN5O2 MolecularWeight: 419.451483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)N(C3=C(C4=C(CN(C4)NC5=CC=NC=C5)C=C3)F)C(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)N(C3=C(C4=C(CN(C4)NC5=CC=NC=C5)C=C3)F)C(=O)O

InChI

InChI=1S/C23H22FN5O2/c24-22-20-15-27(26-19-7-10-25-11-8-19)13-18(20)5-6-21(22)29(23(30)31)28-12-9-16-3-1-2-4-17(16)14-28/h1-8,10-11H,9,12-15H2,(H,25,26)(H,30,31)