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

Systemtic Name: 3-methylbutyl 4-[6-azanyl-5-cyano-4-(4-methoxyphenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoate Openeye Name: isopentyl 4-[6-amino-5-cyano-4-(4-methoxyphenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoate CAS Name: 4-[6-amino-5-cyano-4-(4-methoxyphenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[6-amino-5-cyano-4-(4-methoxyphenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoate Traditional Name: 4-[6-amino-5-cyano-4-(4-methoxyphenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid isoamyl ester Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O4/c1-16(2)13-14-34-27(32)19-5-9-20(10-6-19)31-26-23(17(3)30-31)24(22(15-28)25(29)35-26)18-7-11-21(33-4)12-8-18/h5-12,16,24H,13-14,29H2,1-4H3