[4-[6-azanyl-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxy-phenyl] benzoate

Systemtic Name: [4-[6-azanyl-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxy-phenyl] benzoate Openeye Name: [4-[6-amino-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxy-phenyl] benzoate CAS Name: benzoic acid [4-[6-amino-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl] ester IUPAC Name: [4-[6-amino-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl] benzoate Traditional Name: benzoic acid [4-[6-amino-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxy-phenyl] ester Formula: C28H21BrN4O5 MolecularWeight: 573.39414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC(=O)C2=CC=CC=C2)OC)C3C(=C(OC4=NNC(=C34)C5=CC=C(C=C5)Br)N)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC(=O)C2=CC=CC=C2)OC)C3C(=C(OC4=NNC(=C34)C5=CC=C(C=C5)Br)N)C#N

InChI

InChI=1S/C28H21BrN4O5/c1-35-20-12-17(13-21(36-2)25(20)37-28(34)16-6-4-3-5-7-16)22-19(14-30)26(31)38-27-23(22)24(32-33-27)15-8-10-18(29)11-9-15/h3-13,22H,31H2,1-2H3,(H,32,33)