6-azanyl-2-[4-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]quinoline-4-carboxylic acid

Systemtic Name: 6-azanyl-2-[4-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]quinoline-4-carboxylic acid Openeye Name: 6-amino-2-[4-[2-(3-methylanilino)-2-oxo-ethyl]piperazin-1-yl]quinoline-4-carboxylic acid CAS Name: 6-amino-2-[4-[2-(3-methylanilino)-2-oxoethyl]-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-amino-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid Traditional Name: 6-amino-2-[4-[2-keto-2-(m-toluidino)ethyl]piperazino]cinchoninic acid Formula: C23H25N5O3 MolecularWeight: 419.4763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CN2CCN(CC2)C3=NC4=C(C=C(C=C4)N)C(=C3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CN2CCN(CC2)C3=NC4=C(C=C(C=C4)N)C(=C3)C(=O)O

InChI

InChI=1S/C23H25N5O3/c1-15-3-2-4-17(11-15)25-22(29)14-27-7-9-28(10-8-27)21-13-19(23(30)31)18-12-16(24)5-6-20(18)26-21/h2-6,11-13H,7-10,14,24H2,1H3,(H,25,29)(H,30,31)