6-bromanyl-4-[[2-(dipropylamino)-2-oxidanylidene-ethyl]amino]quinoline-3-carboxylic acid hydrate

Systemtic Name: 6-bromanyl-4-[[2-(dipropylamino)-2-oxidanylidene-ethyl]amino]quinoline-3-carboxylic acid hydrate Openeye Name: 6-bromo-4-[[2-(dipropylamino)-2-oxo-ethyl]amino]quinoline-3-carboxylic acid hydrate CAS Name: 6-bromo-4-[[2-(dipropylamino)-2-oxoethyl]amino]-3-quinolinecarboxylic acid hydrate IUPAC Name: 6-bromo-4-[[2-(dipropylamino)-2-oxoethyl]amino]quinoline-3-carboxylic acid hydrate Traditional Name: 6-bromo-4-[[2-(dipropylamino)-2-keto-ethyl]amino]quinoline-3-carboxylic acid hydrate Formula: C18H24BrN3O4 MolecularWeight: 426.30486

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)CNC1=C2C=C(C=CC2=NC=C1C(=O)O)Br.O

Isomeric SMILES

CCCN(CCC)C(=O)CNC1=C2C=C(C=CC2=NC=C1C(=O)O)Br.O

InChI

InChI=1S/C18H22BrN3O3.H2O/c1-3-7-22(8-4-2)16(23)11-21-17-13-9-12(19)5-6-15(13)20-10-14(17)18(24)25;/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,20,21)(H,24,25);1H2