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

Systemtic Name: 3-oxidanylidene-2-phenyl-5-(piperazin-1-ylmethyl)-4-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxylic acid Openeye Name: 3-oxo-2-phenyl-5-(piperazin-1-ylmethyl)-4-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxylic acid CAS Name: 3-oxo-2-phenyl-5-(1-piperazinylmethyl)-4-[2-(1-pyrrolidinyl)ethyl]-4-quinolinecarboxylic acid IUPAC Name: 3-oxo-2-phenyl-5-(piperazin-1-ylmethyl)-4-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxylic acid Traditional Name: 3-keto-2-phenyl-5-(piperazinomethyl)-4-(2-pyrrolidinoethyl)cinchoninic acid Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCC2(C3=C(C=CC=C3N=C(C2=O)C4=CC=CC=C4)CN5CCNCC5)C(=O)O

Isomeric SMILES

C1CCN(C1)CCC2(C3=C(C=CC=C3N=C(C2=O)C4=CC=CC=C4)CN5CCNCC5)C(=O)O

InChI

InChI=1S/C27H32N4O3/c32-25-24(20-7-2-1-3-8-20)29-22-10-6-9-21(19-31-17-12-28-13-18-31)23(22)27(25,26(33)34)11-16-30-14-4-5-15-30/h1-3,6-10,28H,4-5,11-19H2,(H,33,34)