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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(pyridin-4-ylamino)-1,3-dihydroisoindol-4-yl]carbamic acid Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(4-pyridylamino)isoindolin-4-yl]carbamic acid CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(pyridin-4-ylamino)-1,3-dihydroisoindol-4-yl]carbamic acid IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(pyridin-4-ylamino)-1,3-dihydroisoindol-4-yl]carbamic acid Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(4-pyridylamino)isoindolin-4-yl]carbamic acid Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)N(C3=CC=CC4=C3CN(C4)NC5=CC=NC=C5)C(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)N(C3=CC=CC4=C3CN(C4)NC5=CC=NC=C5)C(=O)O

InChI

InChI=1S/C23H23N5O2/c29-23(30)28(27-13-10-17-4-1-2-5-18(17)15-27)22-7-3-6-19-14-26(16-21(19)22)25-20-8-11-24-12-9-20/h1-9,11-12H,10,13-16H2,(H,24,25)(H,29,30)