ethyl 1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-2-phenyl-7-piperazin-1-yl-quinoline-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-2-phenyl-7-piperazin-1-yl-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-6,8-difluoro-4-oxo-2-phenyl-7-piperazin-1-yl-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6,8-difluoro-4-oxo-2-phenyl-7-(1-piperazinyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-6,8-difluoro-4-oxo-2-phenyl-7-piperazin-1-ylquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-2-phenyl-7-piperazino-quinoline-3-carboxylic acid ethyl ester Formula: C25H25F2N3O3 MolecularWeight: 453.481106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C(C(=C(C=C2C1=O)F)N3CCNCC3)F)C4CC4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C(C(=C(C=C2C1=O)F)N3CCNCC3)F)C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H25F2N3O3/c1-2-33-25(32)19-21(15-6-4-3-5-7-15)30(16-8-9-16)22-17(24(19)31)14-18(26)23(20(22)27)29-12-10-28-11-13-29/h3-7,14,16,28H,2,8-13H2,1H3