3-[(4-ethyl-3-oxidanylidene-piperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[(4-ethyl-3-oxidanylidene-piperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[(4-ethyl-3-oxo-piperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[(4-ethyl-3-oxo-1-piperazinyl)methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[(4-ethyl-3-oxopiperazin-1-yl)methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[(4-ethyl-3-keto-piperazino)methyl]-2-phenyl-cinchoninic acid Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1=O)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCN1CCN(CC1=O)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H23N3O3/c1-2-26-13-12-25(15-20(26)27)14-18-21(23(28)29)17-10-6-7-11-19(17)24-22(18)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3,(H,28,29)