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

Systemtic Name: 3-methylbutyl 4-(6-azanyl-5-cyano-3-methyl-4-phenyl-4H-pyrano[2,3-c]pyrazol-1-yl)benzoate Openeye Name: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 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 isoamyl ester Formula: C26H26N4O3 MolecularWeight: 442.50964

Click to see the large picture

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)OCCC(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)OCCC(C)C

InChI

InChI=1S/C26H26N4O3/c1-16(2)13-14-32-26(31)19-9-11-20(12-10-19)30-25-22(17(3)29-30)23(18-7-5-4-6-8-18)21(15-27)24(28)33-25/h4-12,16,23H,13-14,28H2,1-3H3