2-methyl-4-oxidanylidene-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1H-quinoline-8-carboxylic acid

Systemtic Name: 2-methyl-4-oxidanylidene-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1H-quinoline-8-carboxylic acid Openeye Name: 3-[(4-benzylpiperazin-1-yl)methyl]-2-methyl-4-oxo-1H-quinoline-8-carboxylic acid CAS Name: 2-methyl-4-oxo-3-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1H-quinoline-8-carboxylic acid IUPAC Name: 3-[(4-benzylpiperazin-1-yl)methyl]-2-methyl-4-oxo-1H-quinoline-8-carboxylic acid Traditional Name: 3-[(4-benzylpiperazino)methyl]-4-keto-2-methyl-1H-quinoline-8-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)18-8-5-9-19(23(28)29)21(18)24-16)15-26-12-10-25(11-13-26)14-17-6-3-2-4-7-17/h2-9H,10-15H2,1H3,(H,24,27)(H,28,29)