7-(2-azanylbutylamino)-1-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(2-azanylbutylamino)-1-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(2-aminobutylamino)-1-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(2-aminobutylamino)-1-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(2-aminobutylamino)-1-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(2-aminobutylamino)-4-keto-1-methyl-quinoline-3-carboxylic acid Formula: C15H19N3O3 MolecularWeight: 289.32966

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=CC2=C(C=C1)C(=O)C(=CN2C)C(=O)O)N

Isomeric SMILES

CCC(CNC1=CC2=C(C=C1)C(=O)C(=CN2C)C(=O)O)N

InChI

InChI=1S/C15H19N3O3/c1-3-9(16)7-17-10-4-5-11-13(6-10)18(2)8-12(14(11)19)15(20)21/h4-6,8-9,17H,3,7,16H2,1-2H3,(H,20,21)