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

Systemtic Name: 2-methylpropyl 4-(6-azanyl-5-cyano-3-methyl-4-phenyl-4H-pyrano[2,3-c]pyrazol-1-yl)benzoate Openeye Name: isobutyl 4-(6-amino-5-cyano-3-methyl-4-phenyl-4H-pyrano[2,3-c]pyrazol-1-yl)benzoate CAS Name: 4-(6-amino-5-cyano-3-methyl-4-phenyl-4H-pyrano[2,3-c]pyrazol-1-yl)benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(6-amino-5-cyano-3-methyl-4-phenyl-4H-pyrano[2,3-c]pyrazol-1-yl)benzoate Traditional Name: 4-(6-amino-5-cyano-3-methyl-4-phenyl-4H-pyrano[2,3-c]pyrazol-1-yl)benzoic acid isobutyl ester Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O3/c1-15(2)14-31-25(30)18-9-11-19(12-10-18)29-24-21(16(3)28-29)22(17-7-5-4-6-8-17)20(13-26)23(27)32-24/h4-12,15,22H,14,27H2,1-3H3