6-azanyl-2-[4-(diphenylmethyl)piperazin-1-yl]quinoline-4-carboxylic acid

Systemtic Name: 6-azanyl-2-[4-(diphenylmethyl)piperazin-1-yl]quinoline-4-carboxylic acid Openeye Name: 6-amino-2-(4-benzhydrylpiperazin-1-yl)quinoline-4-carboxylic acid CAS Name: 6-amino-2-[4-(diphenylmethyl)-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-amino-2-(4-benzhydrylpiperazin-1-yl)quinoline-4-carboxylic acid Traditional Name: 6-amino-2-(4-benzhydrylpiperazino)cinchoninic acid Formula: C27H26N4O2 MolecularWeight: 438.52094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C=C(C=C3)N)C(=C2)C(=O)O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C=C(C=C3)N)C(=C2)C(=O)O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2/c28-21-11-12-24-22(17-21)23(27(32)33)18-25(29-24)30-13-15-31(16-14-30)26(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17-18,26H,13-16,28H2,(H,32,33)