tert-butyl 7-[(2-fluoranylpyridin-3-yl)carbonylamino]-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylate

Systemtic Name: tert-butyl 7-[(2-fluoranylpyridin-3-yl)carbonylamino]-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylate Openeye Name: tert-butyl 7-[(2-fluoropyridine-3-carbonyl)amino]-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylate CAS Name: 7-[[(2-fluoro-3-pyridinyl)-oxomethyl]amino]-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[(2-fluoropyridine-3-carbonyl)amino]-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylate Traditional Name: 7-[(2-fluoronicotinoyl)amino]-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylic acid tert-butyl ester Formula: C22H26FN3O3 MolecularWeight: 399.458543

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)F)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(CN(CC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)F)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C22H26FN3O3/c1-21(2,3)29-20(28)26-12-14-11-15(8-9-17(14)22(4,5)13-26)25-19(27)16-7-6-10-24-18(16)23/h6-11H,12-13H2,1-5H3,(H,25,27)