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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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