[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: [2-[[4-(4-fluorophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid [2-[[4-(4-fluorophenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid [2-[[4-(4-fluorophenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C25H23FN4O4S MolecularWeight: 494.537923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H23FN4O4S/c1-2-3-6-13-30-23(32)19-8-5-4-7-18(19)22(29-30)24(33)34-14-21(31)28-25-27-20(15-35-25)16-9-11-17(26)12-10-16/h4-5,7-12,15H,2-3,6,13-14H2,1H3,(H,27,28,31)