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

Systemtic Name: 6-azanyl-4-(5-bromanyl-2-oxidanyl-phenyl)-3-(4-ethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(5-bromo-2-hydroxy-phenyl)-3-(4-ethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(5-bromo-2-hydroxyphenyl)-3-(4-ethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(5-bromo-2-hydroxyphenyl)-3-(4-ethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(5-bromo-2-hydroxy-phenyl)-3-p-phenetyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C21H17BrN4O3 MolecularWeight: 453.28868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=C(C=CC(=C4)Br)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=C(C=CC(=C4)Br)O

InChI

InChI=1S/C21H17BrN4O3/c1-2-28-13-6-3-11(4-7-13)19-18-17(14-9-12(22)5-8-16(14)27)15(10-23)20(24)29-21(18)26-25-19/h3-9,17,27H,2,24H2,1H3,(H,25,26)