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

Systemtic Name: 2-phenyl-3-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid Openeye Name: 2-phenyl-3-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid CAS Name: 2-phenyl-3-(1-piperazinylmethyl)-4-quinolinecarboxylic acid IUPAC Name: 2-phenyl-3-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid Traditional Name: 2-phenyl-3-(piperazinomethyl)cinchoninic acid Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H21N3O2/c25-21(26)19-16-8-4-5-9-18(16)23-20(15-6-2-1-3-7-15)17(19)14-24-12-10-22-11-13-24/h1-9,22H,10-14H2,(H,25,26)