6-azanyl-1-cyclopropyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-azanyl-1-cyclopropyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-amino-1-cyclopropyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-amino-1-cyclopropyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-amino-1-cyclopropyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-amino-1-cyclopropyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CCC4=CC=CC=C4C3)N)C(=O)C(=CN2C5CC5)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCC4=CC=CC=C4C3)N)C(=O)C(=CN2C5CC5)C(=O)O

InChI

InChI=1S/C23H23N3O3/c1-13-20-17(22(27)18(23(28)29)12-26(20)16-6-7-16)10-19(24)21(13)25-9-8-14-4-2-3-5-15(14)11-25/h2-5,10,12,16H,6-9,11,24H2,1H3,(H,28,29)