2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]quinoline-4-carboxylic acid CAS Name: 2-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]cinchoninic acid Formula: C27H24ClN3O2 MolecularWeight: 457.95136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3C(=C2)C(=O)O)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3C(=C2)C(=O)O)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H24ClN3O2/c28-21-12-10-20(11-13-21)26(19-6-2-1-3-7-19)31-16-14-30(15-17-31)25-18-23(27(32)33)22-8-4-5-9-24(22)29-25/h1-13,18,26H,14-17H2,(H,32,33)