6-chloranyl-4-[naphthalen-2-ylmethyl(piperidin-4-yl)amino]-2-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-4-[naphthalen-2-ylmethyl(piperidin-4-yl)amino]-2-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 6-chloro-4-[2-naphthylmethyl(4-piperidyl)amino]-2-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6-chloro-4-[2-naphthalenylmethyl(4-piperidinyl)amino]-2-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 6-chloro-4-[naphthalen-2-ylmethyl(piperidin-4-yl)amino]-2-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 6-chloro-2-keto-4-[2-naphthylmethyl(4-piperidyl)amino]-1H-quinoline-3-carboxylic acid Formula: C26H24ClN3O3 MolecularWeight: 461.94006

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N(CC2=CC3=CC=CC=C3C=C2)C4=C(C(=O)NC5=C4C=C(C=C5)Cl)C(=O)O

Isomeric SMILES

C1CNCCC1N(CC2=CC3=CC=CC=C3C=C2)C4=C(C(=O)NC5=C4C=C(C=C5)Cl)C(=O)O

InChI

InChI=1S/C26H24ClN3O3/c27-19-7-8-22-21(14-19)24(23(26(32)33)25(31)29-22)30(20-9-11-28-12-10-20)15-16-5-6-17-3-1-2-4-18(17)13-16/h1-8,13-14,20,28H,9-12,15H2,(H,29,31)(H,32,33)