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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCOC(=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/C26H25FN4O3/c1-3-4-7-14-33-26(32)17-10-12-18(13-11-17)31-25-22(16(2)30-31)23(20(15-28)24(29)34-25)19-8-5-6-9-21(19)27/h5-6,8-13,23H,3-4,7,14,29H2,1-2H3