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

Systemtic Name: [4-(6-azanyl-5-cyano-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] benzoate Openeye Name: [4-(6-amino-5-cyano-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] benzoate CAS Name: benzoic acid [4-(6-amino-5-cyano-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] ester IUPAC Name: [4-(6-amino-5-cyano-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] benzoate Traditional Name: benzoic acid [4-(6-amino-5-cyano-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] ester Formula: C26H18N4O3 MolecularWeight: 434.44612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H18N4O3/c27-15-20-21(16-11-13-19(14-12-16)32-26(31)18-9-5-2-6-10-18)22-23(17-7-3-1-4-8-17)29-30-25(22)33-24(20)28/h1-14,21H,28H2,(H,29,30)