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

Systemtic Name: 6-chloranyl-1-methyl-4-[naphthalen-2-ylmethyl(piperidin-4-yl)amino]-2-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-chloro-1-methyl-4-[2-naphthylmethyl(4-piperidyl)amino]-2-oxo-quinoline-3-carboxylic acid CAS Name: 6-chloro-1-methyl-4-[2-naphthalenylmethyl(4-piperidinyl)amino]-2-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-1-methyl-4-[naphthalen-2-ylmethyl(piperidin-4-yl)amino]-2-oxoquinoline-3-carboxylic acid Traditional Name: 6-chloro-2-keto-1-methyl-4-[2-naphthylmethyl(4-piperidyl)amino]quinoline-3-carboxylic acid Formula: C27H26ClN3O3 MolecularWeight: 475.96664

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=C(C1=O)C(=O)O)N(CC3=CC4=CC=CC=C4C=C3)C5CCNCC5

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=C(C1=O)C(=O)O)N(CC3=CC4=CC=CC=C4C=C3)C5CCNCC5

InChI

InChI=1S/C27H26ClN3O3/c1-30-23-9-8-20(28)15-22(23)25(24(26(30)32)27(33)34)31(21-10-12-29-13-11-21)16-17-6-7-18-4-2-3-5-19(18)14-17/h2-9,14-15,21,29H,10-13,16H2,1H3,(H,33,34)