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

Systemtic Name: 2-methyl-4-oxidanylidene-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1H-quinoline-6-carboxylic acid Openeye Name: 3-[(4-benzylpiperazin-1-yl)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid CAS Name: 2-methyl-4-oxo-3-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1H-quinoline-6-carboxylic acid IUPAC Name: 3-[(4-benzylpiperazin-1-yl)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid Traditional Name: 3-[(4-benzylpiperazino)methyl]-4-keto-2-methyl-1H-quinoline-6-carboxylic acid Formula: C23H25N3O3 MolecularWeight: 391.4629

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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=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3/c1-16-20(22(27)19-13-18(23(28)29)7-8-21(19)24-16)15-26-11-9-25(10-12-26)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,24,27)(H,28,29)