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

Systemtic Name: 3-methylbutyl 4-[6-azanyl-5-cyano-4-(2-fluorophenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoate Openeye Name: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 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 isoamyl ester Formula: C26H25FN4O3 MolecularWeight: 460.500103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=CC=C3F)C4=CC=C(C=C4)C(=O)OCCC(C)C

Isomeric SMILES

CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=CC=C3F)C4=CC=C(C=C4)C(=O)OCCC(C)C

InChI

InChI=1S/C26H25FN4O3/c1-15(2)12-13-33-26(32)17-8-10-18(11-9-17)31-25-22(16(3)30-31)23(20(14-28)24(29)34-25)19-6-4-5-7-21(19)27/h4-11,15,23H,12-13,29H2,1-3H3