6-azanyl-4-(5-bromanyl-2-phenylmethoxy-phenyl)-3-(2,5-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-4-(5-bromanyl-2-phenylmethoxy-phenyl)-3-(2,5-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(2-benzyloxy-5-bromo-phenyl)-3-(2,5-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(5-bromo-2-phenylmethoxyphenyl)-3-(2,5-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(5-bromo-2-phenylmethoxyphenyl)-3-(2,5-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(2-benzoxy-5-bromo-phenyl)-3-(2,5-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C28H23BrN4O4 MolecularWeight: 559.41062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=C(C=CC(=C4)Br)OCC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=C(C=CC(=C4)Br)OCC5=CC=CC=C5

InChI

InChI=1S/C28H23BrN4O4/c1-34-18-9-11-22(35-2)20(13-18)26-25-24(21(14-30)27(31)37-28(25)33-32-26)19-12-17(29)8-10-23(19)36-15-16-6-4-3-5-7-16/h3-13,24H,15,31H2,1-2H3,(H,32,33)