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

Systemtic Name: 3-oxidanylidene-2-phenyl-5-(piperazin-1-ylmethyl)-4-(3-piperidin-1-ylpropyl)quinoline-4-carboxylic acid Openeye Name: 3-oxo-2-phenyl-5-(piperazin-1-ylmethyl)-4-[3-(1-piperidyl)propyl]quinoline-4-carboxylic acid CAS Name: 3-oxo-2-phenyl-5-(1-piperazinylmethyl)-4-[3-(1-piperidinyl)propyl]-4-quinolinecarboxylic acid IUPAC Name: 3-oxo-2-phenyl-5-(piperazin-1-ylmethyl)-4-(3-piperidin-1-ylpropyl)quinoline-4-carboxylic acid Traditional Name: 3-keto-2-phenyl-5-(piperazinomethyl)-4-(3-piperidinopropyl)cinchoninic acid Formula: C29H36N4O3 MolecularWeight: 488.62114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCC2(C3=C(C=CC=C3N=C(C2=O)C4=CC=CC=C4)CN5CCNCC5)C(=O)O

Isomeric SMILES

C1CCN(CC1)CCCC2(C3=C(C=CC=C3N=C(C2=O)C4=CC=CC=C4)CN5CCNCC5)C(=O)O

InChI

InChI=1S/C29H36N4O3/c34-27-26(22-9-3-1-4-10-22)31-24-12-7-11-23(21-33-19-14-30-15-20-33)25(24)29(27,28(35)36)13-8-18-32-16-5-2-6-17-32/h1,3-4,7,9-12,30H,2,5-6,8,13-21H2,(H,35,36)