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

Systemtic Name: 4-(2-morpholin-4-ylethyl)-3-oxidanylidene-2-phenyl-5-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid Openeye Name: 4-(2-morpholinoethyl)-3-oxo-2-phenyl-5-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid CAS Name: 4-[2-(4-morpholinyl)ethyl]-3-oxo-2-phenyl-5-(1-piperazinylmethyl)-4-quinolinecarboxylic acid IUPAC Name: 4-(2-morpholin-4-ylethyl)-3-oxo-2-phenyl-5-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid Traditional Name: 3-keto-4-(2-morpholinoethyl)-2-phenyl-5-(piperazinomethyl)cinchoninic acid Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=C3C(=CC=C2)N=C(C(=O)C3(CCN4CCOCC4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)CC2=C3C(=CC=C2)N=C(C(=O)C3(CCN4CCOCC4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C27H32N4O4/c32-25-24(20-5-2-1-3-6-20)29-22-8-4-7-21(19-31-13-10-28-11-14-31)23(22)27(25,26(33)34)9-12-30-15-17-35-18-16-30/h1-8,28H,9-19H2,(H,33,34)