ethyl 4-azanyl-7-cyano-8-phenyl-10-(trifluoromethyl)pyrimido[1,2-b]indazole-3-carboxylate

Systemtic Name: ethyl 4-azanyl-7-cyano-8-phenyl-10-(trifluoromethyl)pyrimido[1,2-b]indazole-3-carboxylate Openeye Name: ethyl 4-amino-7-cyano-8-phenyl-10-(trifluoromethyl)pyrimido[1,2-b]indazole-3-carboxylate CAS Name: 4-amino-7-cyano-8-phenyl-10-(trifluoromethyl)-3-pyrimido[1,2-b]indazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-7-cyano-8-phenyl-10-(trifluoromethyl)pyrimido[1,2-b]indazole-3-carboxylate Traditional Name: 4-amino-7-cyano-8-phenyl-10-(trifluoromethyl)pyrimid[1,2-b]indazole-3-carboxylic acid ethyl ester Formula: C21H14F3N5O2 MolecularWeight: 425.36337

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C(=C3C(=CC(=C(C3=N2)C#N)C4=CC=CC=C4)C(F)(F)F)N=C1)N

Isomeric SMILES

CCOC(=O)C1=C(N2C(=C3C(=CC(=C(C3=N2)C#N)C4=CC=CC=C4)C(F)(F)F)N=C1)N

InChI

InChI=1S/C21H14F3N5O2/c1-2-31-20(30)14-10-27-19-16-15(21(22,23)24)8-12(11-6-4-3-5-7-11)13(9-25)17(16)28-29(19)18(14)26/h3-8,10H,2,26H2,1H3