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

Systemtic Name: 2-phenyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxylic acid Openeye Name: 3-[(4-isopropylpiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 2-phenyl-3-[(4-propan-2-yl-1-piperazinyl)methyl]-4-quinolinecarboxylic acid IUPAC Name: 2-phenyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxylic acid Traditional Name: 3-[(4-isopropylpiperazino)methyl]-2-phenyl-cinchoninic acid Formula: C24H27N3O2 MolecularWeight: 389.49008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)N1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H27N3O2/c1-17(2)27-14-12-26(13-15-27)16-20-22(24(28)29)19-10-6-7-11-21(19)25-23(20)18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,28,29)