3-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-4-oxidanylidene-1H-quinoline-6-carboxylic acid

Systemtic Name: 3-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-4-oxidanylidene-1H-quinoline-6-carboxylic acid Openeye Name: 3-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid CAS Name: 3-[(4-ethyl-1-piperazinyl)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid IUPAC Name: 3-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid Traditional Name: 3-[(4-ethylpiperazino)methyl]-4-keto-2-methyl-1H-quinoline-6-carboxylic acid Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(NC3=C(C2=O)C=C(C=C3)C(=O)O)C

Isomeric SMILES

CCN1CCN(CC1)CC2=C(NC3=C(C2=O)C=C(C=C3)C(=O)O)C

InChI

InChI=1S/C18H23N3O3/c1-3-20-6-8-21(9-7-20)11-15-12(2)19-16-5-4-13(18(23)24)10-14(16)17(15)22/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,22)(H,23,24)