5-azanyl-4-(1,3-benzodioxol-5-yl)-1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile

Systemtic Name: 5-azanyl-4-(1,3-benzodioxol-5-yl)-1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile Openeye Name: 5-amino-4-(1,3-benzodioxol-5-yl)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile CAS Name: 5-amino-4-(1,3-benzodioxol-5-yl)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-pyrazolecarbonitrile IUPAC Name: 5-amino-4-(1,3-benzodioxol-5-yl)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile Traditional Name: 5-amino-4-(1,3-benzodioxol-5-yl)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile Formula: C18H9Cl2F3N4O2 MolecularWeight: 441.19087

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(N(N=C3C#N)C4=C(C=C(C=C4Cl)C(F)(F)F)Cl)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(N(N=C3C#N)C4=C(C=C(C=C4Cl)C(F)(F)F)Cl)N

InChI

InChI=1S/C18H9Cl2F3N4O2/c19-10-4-9(18(21,22)23)5-11(20)16(10)27-17(25)15(12(6-24)26-27)8-1-2-13-14(3-8)29-7-28-13/h1-5H,7,25H2