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

Systemtic Name: 4-(2-diethylaminoethyl)-3-oxidanylidene-2-phenyl-5-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid Openeye Name: 4-(2-diethylaminoethyl)-3-oxo-2-phenyl-5-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid CAS Name: 4-(2-diethylaminoethyl)-3-oxo-2-phenyl-5-(1-piperazinylmethyl)-4-quinolinecarboxylic acid IUPAC Name: 4-(2-diethylaminoethyl)-3-oxo-2-phenyl-5-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid Traditional Name: 4-(2-diethylaminoethyl)-3-keto-2-phenyl-5-(piperazinomethyl)cinchoninic acid Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O3/c1-3-30(4-2)16-13-27(26(33)34)23-21(19-31-17-14-28-15-18-31)11-8-12-22(23)29-24(25(27)32)20-9-6-5-7-10-20/h5-12,28H,3-4,13-19H2,1-2H3,(H,33,34)