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

Systemtic Name: 3-[(4-cyclohexylpiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[(4-cyclohexylpiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[(4-cyclohexyl-1-piperazinyl)methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[(4-cyclohexylpiperazin-1-yl)methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[(4-cyclohexylpiperazino)methyl]-2-phenyl-cinchoninic acid Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H31N3O2/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/h1,3-4,7-10,13-14,21H,2,5-6,11-12,15-19H2,(H,31,32)