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

Systemtic Name: 3-[(4-ethanoylpiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[(4-acetylpiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[(4-acetyl-1-piperazinyl)methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[(4-acetylpiperazin-1-yl)methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[(4-acetylpiperazino)methyl]-2-phenyl-cinchoninic acid Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O3/c1-16(27)26-13-11-25(12-14-26)15-19-21(23(28)29)18-9-5-6-10-20(18)24-22(19)17-7-3-2-4-8-17/h2-10H,11-15H2,1H3,(H,28,29)