3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-methyl-4-oxidanylidene-1H-quinoline-6-carboxylic acid

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-methyl-4-oxidanylidene-1H-quinoline-6-carboxylic acid Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid Traditional Name: 4-keto-2-methyl-3-[(4-piperonylpiperazino)methyl]-1H-quinoline-6-carboxylic acid Formula: C24H25N3O5 MolecularWeight: 435.4724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H25N3O5/c1-15-19(23(28)18-11-17(24(29)30)3-4-20(18)25-15)13-27-8-6-26(7-9-27)12-16-2-5-21-22(10-16)32-14-31-21/h2-5,10-11H,6-9,12-14H2,1H3,(H,25,28)(H,29,30)