tert-butyl 7-[[2-(1H-indazol-6-ylamino)pyridin-3-yl]carbonylamino]-4,4-dimethyl-2,3-dihydro-1H-isoquinoline-1-carboxylate

Systemtic Name: tert-butyl 7-[[2-(1H-indazol-6-ylamino)pyridin-3-yl]carbonylamino]-4,4-dimethyl-2,3-dihydro-1H-isoquinoline-1-carboxylate Openeye Name: tert-butyl 7-[[2-(1H-indazol-6-ylamino)pyridine-3-carbonyl]amino]-4,4-dimethyl-2,3-dihydro-1H-isoquinoline-1-carboxylate CAS Name: 7-[[[2-(1H-indazol-6-ylamino)-3-pyridinyl]-oxomethyl]amino]-4,4-dimethyl-2,3-dihydro-1H-isoquinoline-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[2-(1H-indazol-6-ylamino)pyridine-3-carbonyl]amino]-4,4-dimethyl-2,3-dihydro-1H-isoquinoline-1-carboxylate Traditional Name: 7-[[2-(1H-indazol-6-ylamino)nicotinoyl]amino]-4,4-dimethyl-2,3-dihydro-1H-isoquinoline-1-carboxylic acid tert-butyl ester Formula: C29H32N6O3 MolecularWeight: 512.60278

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNC(C2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NC4=CC5=C(C=C4)C=NN5)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(CNC(C2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NC4=CC5=C(C=C4)C=NN5)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C29H32N6O3/c1-28(2,3)38-27(37)24-21-13-18(10-11-22(21)29(4,5)16-31-24)34-26(36)20-7-6-12-30-25(20)33-19-9-8-17-15-32-35-23(17)14-19/h6-15,24,31H,16H2,1-5H3,(H,30,33)(H,32,35)(H,34,36)