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

Systemtic Name: 7-[[2-(isoquinolin-7-ylamino)pyridin-3-yl]carbonylamino]-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylic acid Openeye Name: 7-[[2-(7-isoquinolylamino)pyridine-3-carbonyl]amino]-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylic acid CAS Name: 7-[[[2-(7-isoquinolinylamino)-3-pyridinyl]-oxomethyl]amino]-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylic acid IUPAC Name: 7-[[2-(isoquinolin-7-ylamino)pyridine-3-carbonyl]amino]-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylic acid Traditional Name: 7-[[2-(7-isoquinolylamino)nicotinoyl]amino]-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylic acid Formula: C27H25N5O3 MolecularWeight: 467.5191

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NC4=CC5=C(C=C4)C=CN=C5)C(=O)O)C

Isomeric SMILES

CC1(CN(CC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NC4=CC5=C(C=C4)C=CN=C5)C(=O)O)C

InChI

InChI=1S/C27H25N5O3/c1-27(2)16-32(26(34)35)15-19-13-21(7-8-23(19)27)31-25(33)22-4-3-10-29-24(22)30-20-6-5-17-9-11-28-14-18(17)12-20/h3-14H,15-16H2,1-2H3,(H,29,30)(H,31,33)(H,34,35)