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

Systemtic Name: methyl 4-[6-azanyl-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate Openeye Name: methyl 4-[6-amino-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate CAS Name: 4-[6-amino-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[6-amino-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate Traditional Name: 4-[6-amino-3-(4-bromophenyl)-5-cyano-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoic acid methyl ester Formula: C21H15BrN4O3 MolecularWeight: 451.2728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(OC3=NNC(=C23)C4=CC=C(C=C4)Br)N)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C(=C(OC3=NNC(=C23)C4=CC=C(C=C4)Br)N)C#N

InChI

InChI=1S/C21H15BrN4O3/c1-28-21(27)13-4-2-11(3-5-13)16-15(10-23)19(24)29-20-17(16)18(25-26-20)12-6-8-14(22)9-7-12/h2-9,16H,24H2,1H3,(H,25,26)