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

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

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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)Br)C4=CC=C(C=C4)C(=O)OCC(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)OCC(C)C

InChI

InChI=1S/C25H23BrN4O3/c1-14(2)13-32-25(31)17-6-10-19(11-7-17)30-24-21(15(3)29-30)22(20(12-27)23(28)33-24)16-4-8-18(26)9-5-16/h4-11,14,22H,13,28H2,1-3H3