4-[4-(diphenylmethyl)piperazin-1-yl]-2-methyl-quinoline-7-carboxylic acid

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-1-yl]-2-methyl-quinoline-7-carboxylic acid Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-2-methyl-quinoline-7-carboxylic acid CAS Name: 4-[4-(diphenylmethyl)-1-piperazinyl]-2-methyl-7-quinolinecarboxylic acid IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-2-methylquinoline-7-carboxylic acid Traditional Name: 4-(4-benzhydrylpiperazino)-2-methyl-quinoline-7-carboxylic acid Formula: C28H27N3O2 MolecularWeight: 437.53288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(=O)O)C(=C1)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(=O)O)C(=C1)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O2/c1-20-18-26(24-13-12-23(28(32)33)19-25(24)29-20)30-14-16-31(17-15-30)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18-19,27H,14-17H2,1H3,(H,32,33)