4-(2-dimethylaminoethyl)-3-oxidanylidene-2-phenyl-5-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid

Systemtic Name: 4-(2-dimethylaminoethyl)-3-oxidanylidene-2-phenyl-5-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid Openeye Name: 4-(2-dimethylaminoethyl)-3-oxo-2-phenyl-5-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid CAS Name: 4-(2-dimethylaminoethyl)-3-oxo-2-phenyl-5-(1-piperazinylmethyl)-4-quinolinecarboxylic acid IUPAC Name: 4-(2-dimethylaminoethyl)-3-oxo-2-phenyl-5-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid Traditional Name: 4-(2-dimethylaminoethyl)-3-keto-2-phenyl-5-(piperazinomethyl)cinchoninic acid Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1(C2=C(C=CC=C2N=C(C1=O)C3=CC=CC=C3)CN4CCNCC4)C(=O)O

Isomeric SMILES

CN(C)CCC1(C2=C(C=CC=C2N=C(C1=O)C3=CC=CC=C3)CN4CCNCC4)C(=O)O

InChI

InChI=1S/C25H30N4O3/c1-28(2)14-11-25(24(31)32)21-19(17-29-15-12-26-13-16-29)9-6-10-20(21)27-22(23(25)30)18-7-4-3-5-8-18/h3-10,26H,11-17H2,1-2H3,(H,31,32)