butyl 4-[6-azanyl-5-cyano-4-(2-fluorophenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoate

Systemtic Name: butyl 4-[6-azanyl-5-cyano-4-(2-fluorophenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoate Openeye Name: butyl 4-[6-amino-5-cyano-4-(2-fluorophenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoate CAS Name: 4-[6-amino-5-cyano-4-(2-fluorophenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid butyl ester IUPAC Name: butyl 4-[6-amino-5-cyano-4-(2-fluorophenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoate Traditional Name: 4-[6-amino-5-cyano-4-(2-fluorophenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid butyl ester Formula: C25H23FN4O3 MolecularWeight: 446.473523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C3=C(C(C(=C(O3)N)C#N)C4=CC=CC=C4F)C(=N2)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C3=C(C(C(=C(O3)N)C#N)C4=CC=CC=C4F)C(=N2)C

InChI

InChI=1S/C25H23FN4O3/c1-3-4-13-32-25(31)16-9-11-17(12-10-16)30-24-21(15(2)29-30)22(19(14-27)23(28)33-24)18-7-5-6-8-20(18)26/h5-12,22H,3-4,13,28H2,1-2H3