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

Systemtic Name: 3-methylbutyl 4-[6-azanyl-4-(4-bromophenyl)-5-cyano-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoate Openeye Name: isopentyl 4-[6-amino-4-(4-bromophenyl)-5-cyano-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoate CAS Name: 4-[6-amino-4-(4-bromophenyl)-5-cyano-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[6-amino-4-(4-bromophenyl)-5-cyano-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoate Traditional Name: 4-[6-amino-4-(4-bromophenyl)-5-cyano-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid isoamyl ester Formula: C26H25BrN4O3 MolecularWeight: 521.4057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H25BrN4O3/c1-15(2)12-13-33-26(32)18-6-10-20(11-7-18)31-25-22(16(3)30-31)23(21(14-28)24(29)34-25)17-4-8-19(27)9-5-17/h4-11,15,23H,12-13,29H2,1-3H3