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

Systemtic Name: methyl 4-[6-azanyl-4-(4-bromophenyl)-5-cyano-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H17BrN4O3 MolecularWeight: 465.29938

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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)OC

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)OC

InChI

InChI=1S/C22H17BrN4O3/c1-12-18-19(13-3-7-15(23)8-4-13)17(11-24)20(25)30-21(18)27(26-12)16-9-5-14(6-10-16)22(28)29-2/h3-10,19H,25H2,1-2H3