7-[(2-fluoranylpyridin-3-yl)carbonylamino]-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylic acid

Systemtic Name: 7-[(2-fluoranylpyridin-3-yl)carbonylamino]-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylic acid Openeye Name: 7-[(2-fluoropyridine-3-carbonyl)amino]-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylic acid CAS Name: 7-[[(2-fluoro-3-pyridinyl)-oxomethyl]amino]-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylic acid IUPAC Name: 7-[(2-fluoropyridine-3-carbonyl)amino]-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylic acid Traditional Name: 7-[(2-fluoronicotinoyl)amino]-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylic acid Formula: C18H18FN3O3 MolecularWeight: 343.352223

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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)O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H18FN3O3/c1-18(2)10-22(17(24)25)9-11-8-12(5-6-14(11)18)21-16(23)13-4-3-7-20-15(13)19/h3-8H,9-10H2,1-2H3,(H,21,23)(H,24,25)