2-[3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]propylamino]quinoline-4-carboxylic acid

Systemtic Name: 2-[3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]propylamino]quinoline-4-carboxylic acid Openeye Name: 2-[3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]propylamino]quinoline-4-carboxylic acid CAS Name: 2-[3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]propylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propylamino]quinoline-4-carboxylic acid Traditional Name: 2-[3-[4-(5-chloro-2-methyl-phenyl)piperazino]propylamino]cinchoninic acid Formula: C24H27ClN4O2 MolecularWeight: 438.94978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CCCNC3=NC4=CC=CC=C4C(=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CCCNC3=NC4=CC=CC=C4C(=C3)C(=O)O

InChI

InChI=1S/C24H27ClN4O2/c1-17-7-8-18(25)15-22(17)29-13-11-28(12-14-29)10-4-9-26-23-16-20(24(30)31)19-5-2-3-6-21(19)27-23/h2-3,5-8,15-16H,4,9-14H2,1H3,(H,26,27)(H,30,31)