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

Systemtic Name: methyl 4-[6-azanyl-5-cyano-4-(2-fluorophenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H17FN4O3 MolecularWeight: 404.393783

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H17FN4O3/c1-12-18-19(15-5-3-4-6-17(15)23)16(11-24)20(25)30-21(18)27(26-12)14-9-7-13(8-10-14)22(28)29-2/h3-10,19H,25H2,1-2H3