methyl 4-[6-azanyl-5-cyano-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate

Systemtic Name: methyl 4-[6-azanyl-5-cyano-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate Openeye Name: methyl 4-[6-amino-5-cyano-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate CAS Name: 4-[6-amino-5-cyano-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[6-amino-5-cyano-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate Traditional Name: 4-[6-amino-5-cyano-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoic acid methyl ester Formula: C22H18N4O4 MolecularWeight: 402.40272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H18N4O4/c1-28-15-5-3-4-14(10-15)19-18-17(12-6-8-13(9-7-12)22(27)29-2)16(11-23)20(24)30-21(18)26-25-19/h3-10,17H,24H2,1-2H3,(H,25,26)