ethyl 6-azanyl-1-cyclopropyl-4-oxidanylidene-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-3-carboxylate

Systemtic Name: ethyl 6-azanyl-1-cyclopropyl-4-oxidanylidene-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-3-carboxylate Openeye Name: ethyl 6-amino-1-cyclopropyl-4-oxo-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-3-carboxylate CAS Name: 6-amino-1-cyclopropyl-4-oxo-7-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-1-cyclopropyl-4-oxo-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-3-carboxylate Traditional Name: 6-amino-1-cyclopropyl-4-keto-7-[4-[3-(trifluoromethyl)phenyl]piperazino]quinoline-3-carboxylic acid ethyl ester Formula: C26H27F3N4O3 MolecularWeight: 500.51279

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)N)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C5CC5

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)N)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C5CC5

InChI

InChI=1S/C26H27F3N4O3/c1-2-36-25(35)20-15-33(17-6-7-17)22-14-23(21(30)13-19(22)24(20)34)32-10-8-31(9-11-32)18-5-3-4-16(12-18)26(27,28)29/h3-5,12-15,17H,2,6-11,30H2,1H3