1-[3-(methylamino)propyl]-7-[[(1-methylimidazol-2-yl)amino]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[3-(methylamino)propyl]-7-[[(1-methylimidazol-2-yl)amino]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-[3-(methylamino)propyl]-7-[[(1-methylimidazol-2-yl)amino]methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-[3-(methylamino)propyl]-7-[[(1-methyl-2-imidazolyl)amino]methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-[3-(methylamino)propyl]-7-[[(1-methylimidazol-2-yl)amino]methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 4-keto-1-[3-(methylamino)propyl]-7-[[(1-methylimidazol-2-yl)amino]methyl]quinoline-3-carboxylic acid Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCN1C=C(C(=O)C2=C1C=C(C=C2)CNC3=NC=CN3C)C(=O)O

Isomeric SMILES

CNCCCN1C=C(C(=O)C2=C1C=C(C=C2)CNC3=NC=CN3C)C(=O)O

InChI

InChI=1S/C19H23N5O3/c1-20-6-3-8-24-12-15(18(26)27)17(25)14-5-4-13(10-16(14)24)11-22-19-21-7-9-23(19)2/h4-5,7,9-10,12,20H,3,6,8,11H2,1-2H3,(H,21,22)(H,26,27)