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

Systemtic Name: butyl 4-[6-azanyl-4-(4-bromophenyl)-5-cyano-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C25H23BrN4O3 MolecularWeight: 507.37912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C3=C(C(C(=C(O3)N)C#N)C4=CC=C(C=C4)Br)C(=N2)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C3=C(C(C(=C(O3)N)C#N)C4=CC=C(C=C4)Br)C(=N2)C

InChI

InChI=1S/C25H23BrN4O3/c1-3-4-13-32-25(31)17-7-11-19(12-8-17)30-24-21(15(2)29-30)22(20(14-27)23(28)33-24)16-5-9-18(26)10-6-16/h5-12,22H,3-4,13,28H2,1-2H3