imidazol-1-ylcarbonyl 8-chloranyl-4-[3-[4-[2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]piperazin-1-yl]propylamino]quinoline-3-carboxylate

Systemtic Name: imidazol-1-ylcarbonyl 8-chloranyl-4-[3-[4-[2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]piperazin-1-yl]propylamino]quinoline-3-carboxylate Openeye Name: imidazole-1-carbonyl 8-chloro-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]quinoline-3-carboxylate CAS Name: 8-chloro-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]-1-piperazinyl]propylamino]-3-quinolinecarboxylic acid [1-imidazolyl(oxo)methyl] ester IUPAC Name: imidazole-1-carbonyl 8-chloro-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]quinoline-3-carboxylate Traditional Name: 8-chloro-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazino]propylamino]quinoline-3-carboxylic acid imidazole-1-carbonyl ester Formula: C29H28ClF3N6O4 MolecularWeight: 617.01863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC2=C3C=CC=C(C3=NC=C2C(=O)OC(=O)N4C=CN=C4)Cl)C5=CC=CC=C5OCC(F)(F)F

Isomeric SMILES

C1CN(CCN1CCCNC2=C3C=CC=C(C3=NC=C2C(=O)OC(=O)N4C=CN=C4)Cl)C5=CC=CC=C5OCC(F)(F)F

InChI

InChI=1S/C29H28ClF3N6O4/c30-22-6-3-5-20-25(21(17-36-26(20)22)27(40)43-28(41)39-12-10-34-19-39)35-9-4-11-37-13-15-38(16-14-37)23-7-1-2-8-24(23)42-18-29(31,32)33/h1-3,5-8,10,12,17,19H,4,9,11,13-16,18H2,(H,35,36)