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

Systemtic Name: 6-azanyl-4-(5-bromanyl-2-phenylmethoxy-phenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(2-benzyloxy-5-bromo-phenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(5-bromo-2-phenylmethoxyphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(5-bromo-2-phenylmethoxyphenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(2-benzoxy-5-bromo-phenyl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C21H14BrF3N4O2 MolecularWeight: 491.26067

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C3C(=C(OC4=NNC(=C34)C(F)(F)F)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C3C(=C(OC4=NNC(=C34)C(F)(F)F)N)C#N

InChI

InChI=1S/C21H14BrF3N4O2/c22-12-6-7-15(30-10-11-4-2-1-3-5-11)13(8-12)16-14(9-26)19(27)31-20-17(16)18(28-29-20)21(23,24)25/h1-8,16H,10,27H2,(H,28,29)