ethyl 4-[7-chloranyl-2-(4-ethylphenyl)-8-methyl-quinolin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[7-chloranyl-2-(4-ethylphenyl)-8-methyl-quinolin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[7-chloro-2-(4-ethylphenyl)-8-methyl-quinoline-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[7-chloro-2-(4-ethylphenyl)-8-methyl-4-quinolinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[7-chloro-2-(4-ethylphenyl)-8-methylquinoline-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[7-chloro-2-(4-ethylphenyl)-8-methyl-quinoline-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H28ClN3O3 MolecularWeight: 465.97182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C26H28ClN3O3/c1-4-18-6-8-19(9-7-18)23-16-21(20-10-11-22(27)17(3)24(20)28-23)25(31)29-12-14-30(15-13-29)26(32)33-5-2/h6-11,16H,4-5,12-15H2,1-3H3