ethyl 4-[1-cyclopropyl-3-[(2,4-dichlorophenyl)methylcarbamoyl]-6-fluoranyl-4-oxidanylidene-quinolin-7-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-cyclopropyl-3-[(2,4-dichlorophenyl)methylcarbamoyl]-6-fluoranyl-4-oxidanylidene-quinolin-7-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[1-cyclopropyl-3-[(2,4-dichlorophenyl)methylcarbamoyl]-6-fluoro-4-oxo-7-quinolyl]piperazine-1-carboxylate CAS Name: 4-[1-cyclopropyl-3-[[(2,4-dichlorophenyl)methylamino]-oxomethyl]-6-fluoro-4-oxo-7-quinolinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-cyclopropyl-3-[(2,4-dichlorophenyl)methylcarbamoyl]-6-fluoro-4-oxoquinolin-7-yl]piperazine-1-carboxylate Traditional Name: 4-[1-cyclopropyl-3-[(2,4-dichlorobenzyl)carbamoyl]-6-fluoro-4-keto-7-quinolyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H27Cl2FN4O4 MolecularWeight: 561.432083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)NCC4=C(C=C(C=C4)Cl)Cl)C5CC5)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)NCC4=C(C=C(C=C4)Cl)Cl)C5CC5)F

InChI

InChI=1S/C27H27Cl2FN4O4/c1-2-38-27(37)33-9-7-32(8-10-33)24-13-23-19(12-22(24)30)25(35)20(15-34(23)18-5-6-18)26(36)31-14-16-3-4-17(28)11-21(16)29/h3-4,11-13,15,18H,2,5-10,14H2,1H3,(H,31,36)