6-azanyl-1-tert-butyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-azanyl-1-tert-butyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-amino-1-tert-butyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-amino-1-tert-butyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-amino-1-tert-butyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-amino-1-tert-butyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-quinoline-3-carboxylic acid Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCC4=CC=CC=C4C3)N)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCC4=CC=CC=C4C3)N)C(=O)O

InChI

InChI=1S/C23H25N3O3/c1-23(2,3)26-13-17(22(28)29)21(27)16-10-18(24)20(11-19(16)26)25-9-8-14-6-4-5-7-15(14)12-25/h4-7,10-11,13H,8-9,12,24H2,1-3H3,(H,28,29)