[1-isoquinolin-3-yl-2-(7-methyl-1H-indazol-5-yl)ethyl] 4-(8-fluoranyl-2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate

Systemtic Name: [1-isoquinolin-3-yl-2-(7-methyl-1H-indazol-5-yl)ethyl] 4-(8-fluoranyl-2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate Openeye Name: [1-(3-isoquinolyl)-2-(7-methyl-1H-indazol-5-yl)ethyl] 4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate CAS Name: 4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinecarboxylic acid [1-(3-isoquinolinyl)-2-(7-methyl-1H-indazol-5-yl)ethyl] ester IUPAC Name: [1-isoquinolin-3-yl-2-(7-methyl-1H-indazol-5-yl)ethyl] 4-(8-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate Traditional Name: 4-(8-fluoro-2-keto-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylic acid [1-(3-isoquinolyl)-2-(7-methyl-1H-indazol-5-yl)ethyl] ester Formula: C33H31FN6O3 MolecularWeight: 578.636043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)CC(C3=CC4=CC=CC=C4C=N3)OC(=O)N5CCC(CC5)N6CC7=C(C(=CC=C7)F)NC6=O)C=NN2

Isomeric SMILES

CC1=C2C(=CC(=C1)CC(C3=CC4=CC=CC=C4C=N3)OC(=O)N5CCC(CC5)N6CC7=C(C(=CC=C7)F)NC6=O)C=NN2

InChI

InChI=1S/C33H31FN6O3/c1-20-13-21(14-25-18-36-38-30(20)25)15-29(28-16-22-5-2-3-6-23(22)17-35-28)43-33(42)39-11-9-26(10-12-39)40-19-24-7-4-8-27(34)31(24)37-32(40)41/h2-8,13-14,16-18,26,29H,9-12,15,19H2,1H3,(H,36,38)(H,37,41)