3-[(3,5-dimethylpiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[(3,5-dimethylpiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[(3,5-dimethylpiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[(3,5-dimethyl-1-piperazinyl)methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[(3,5-dimethylpiperazin-1-yl)methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[(3,5-dimethylpiperazino)methyl]-2-phenyl-cinchoninic acid Formula: C23H25N3O2 MolecularWeight: 375.4635

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1CN(CC(N1)C)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H25N3O2/c1-15-12-26(13-16(2)24-15)14-19-21(23(27)28)18-10-6-7-11-20(18)25-22(19)17-8-4-3-5-9-17/h3-11,15-16,24H,12-14H2,1-2H3,(H,27,28)