2-phenyl-3-[(4-phenylpiperazin-1-yl)methyl]quinoline-4-carboxylic acid

Systemtic Name: 2-phenyl-3-[(4-phenylpiperazin-1-yl)methyl]quinoline-4-carboxylic acid Openeye Name: 2-phenyl-3-[(4-phenylpiperazin-1-yl)methyl]quinoline-4-carboxylic acid CAS Name: 2-phenyl-3-[(4-phenyl-1-piperazinyl)methyl]-4-quinolinecarboxylic acid IUPAC Name: 2-phenyl-3-[(4-phenylpiperazin-1-yl)methyl]quinoline-4-carboxylic acid Traditional Name: 2-phenyl-3-[(4-phenylpiperazino)methyl]cinchoninic acid Formula: C27H25N3O2 MolecularWeight: 423.5063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O2/c31-27(32)25-22-13-7-8-14-24(22)28-26(20-9-3-1-4-10-20)23(25)19-29-15-17-30(18-16-29)21-11-5-2-6-12-21/h1-14H,15-19H2,(H,31,32)