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

Systemtic Name: 3-[(4-methyl-3-oxidanylidene-piperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[(4-methyl-3-oxo-piperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[(4-methyl-3-oxo-1-piperazinyl)methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[(4-methyl-3-oxopiperazin-1-yl)methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[(3-keto-4-methyl-piperazino)methyl]-2-phenyl-cinchoninic acid Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1=O)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CN1CCN(CC1=O)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H21N3O3/c1-24-11-12-25(14-19(24)26)13-17-20(22(27)28)16-9-5-6-10-18(16)23-21(17)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,27,28)