4-[3-(dimethylamino)propyl]-3-oxidanylidene-2-phenyl-5-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid

Systemtic Name: 4-[3-(dimethylamino)propyl]-3-oxidanylidene-2-phenyl-5-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid Openeye Name: 4-[3-(dimethylamino)propyl]-3-oxo-2-phenyl-5-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid CAS Name: 4-[3-(dimethylamino)propyl]-3-oxo-2-phenyl-5-(1-piperazinylmethyl)-4-quinolinecarboxylic acid IUPAC Name: 4-[3-(dimethylamino)propyl]-3-oxo-2-phenyl-5-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid Traditional Name: 4-[3-(dimethylamino)propyl]-3-keto-2-phenyl-5-(piperazinomethyl)cinchoninic acid Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC1(C2=C(C=CC=C2N=C(C1=O)C3=CC=CC=C3)CN4CCNCC4)C(=O)O

Isomeric SMILES

CN(C)CCCC1(C2=C(C=CC=C2N=C(C1=O)C3=CC=CC=C3)CN4CCNCC4)C(=O)O

InChI

InChI=1S/C26H32N4O3/c1-29(2)15-7-12-26(25(32)33)22-20(18-30-16-13-27-14-17-30)10-6-11-21(22)28-23(24(26)31)19-8-4-3-5-9-19/h3-6,8-11,27H,7,12-18H2,1-2H3,(H,32,33)