6-chloranyl-1-ethyl-4-oxidanylidene-7-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-1-ethyl-4-oxidanylidene-7-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 7-(4-benzylpiperazin-1-yl)-6-chloro-1-ethyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-chloro-1-ethyl-4-oxo-7-[4-(phenylmethyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 7-(4-benzylpiperazin-1-yl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-benzylpiperazino)-6-chloro-1-ethyl-4-keto-quinoline-3-carboxylic acid Formula: C23H24ClN3O3 MolecularWeight: 425.90796

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC4=CC=CC=C4)Cl)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC4=CC=CC=C4)Cl)C(=O)O

InChI

InChI=1S/C23H24ClN3O3/c1-2-26-15-18(23(29)30)22(28)17-12-19(24)21(13-20(17)26)27-10-8-25(9-11-27)14-16-6-4-3-5-7-16/h3-7,12-13,15H,2,8-11,14H2,1H3,(H,29,30)