ethyl 5-(dimethylaminomethylideneamino)-1-[4-(4-fluorophenyl)phthalazin-1-yl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(dimethylaminomethylideneamino)-1-[4-(4-fluorophenyl)phthalazin-1-yl]pyrazole-4-carboxylate Openeye Name: ethyl 5-(dimethylaminomethyleneamino)-1-[4-(4-fluorophenyl)phthalazin-1-yl]pyrazole-4-carboxylate CAS Name: 5-(dimethylaminomethylideneamino)-1-[4-(4-fluorophenyl)-1-phthalazinyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(dimethylaminomethylideneamino)-1-[4-(4-fluorophenyl)phthalazin-1-yl]pyrazole-4-carboxylate Traditional Name: 5-(dimethylaminomethyleneamino)-1-[4-(4-fluorophenyl)phthalazin-1-yl]pyrazole-4-carboxylic acid ethyl ester Formula: C23H21FN6O2 MolecularWeight: 432.450243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F)N=CN(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F)N=CN(C)C

InChI

InChI=1S/C23H21FN6O2/c1-4-32-23(31)19-13-26-30(21(19)25-14-29(2)3)22-18-8-6-5-7-17(18)20(27-28-22)15-9-11-16(24)12-10-15/h5-14H,4H2,1-3H3