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

Systemtic Name: 6-azanyl-1-cyclopropyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-amino-1-cyclopropyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-amino-1-cyclopropyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-amino-1-cyclopropyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-amino-1-cyclopropyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-quinoline-3-carboxylic acid Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC5=CC=CC=C5C4)N)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC5=CC=CC=C5C4)N)C(=O)O

InChI

InChI=1S/C22H21N3O3/c23-18-9-16-19(25(15-5-6-15)12-17(21(16)26)22(27)28)10-20(18)24-8-7-13-3-1-2-4-14(13)11-24/h1-4,9-10,12,15H,5-8,11,23H2,(H,27,28)