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

Systemtic Name: ethyl 6-azanyl-1-tert-butyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 6-amino-1-tert-butyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-quinoline-3-carboxylate CAS Name: 6-amino-1-tert-butyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-1-tert-butyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxoquinoline-3-carboxylate Traditional Name: 6-amino-1-tert-butyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)N)N3CCC4=CC=CC=C4C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)N)N3CCC4=CC=CC=C4C3)C(C)(C)C

InChI

InChI=1S/C25H29N3O3/c1-5-31-24(30)19-15-28(25(2,3)4)21-13-22(20(26)12-18(21)23(19)29)27-11-10-16-8-6-7-9-17(16)14-27/h6-9,12-13,15H,5,10-11,14,26H2,1-4H3