2-(5-azanyl-2-chloranyl-phenyl)-4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-5-butyl-pyrazole-3-carbonitrile

Systemtic Name: 2-(5-azanyl-2-chloranyl-phenyl)-4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-5-butyl-pyrazole-3-carbonitrile Openeye Name: 2-(5-amino-2-chloro-phenyl)-4-[(4-bromo-2-fluoro-phenyl)methyl]-5-butyl-pyrazole-3-carbonitrile CAS Name: 2-(5-amino-2-chlorophenyl)-4-[(4-bromo-2-fluorophenyl)methyl]-5-butyl-3-pyrazolecarbonitrile IUPAC Name: 2-(5-amino-2-chlorophenyl)-4-[(4-bromo-2-fluorophenyl)methyl]-5-butylpyrazole-3-carbonitrile Traditional Name: 2-(5-amino-2-chloro-phenyl)-4-(4-bromo-2-fluoro-benzyl)-5-butyl-pyrazole-3-carbonitrile Formula: C21H19BrClFN4 MolecularWeight: 461.757763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1CC2=C(C=C(C=C2)Br)F)C#N)C3=C(C=CC(=C3)N)Cl

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=C(C=C(C=C2)Br)F)C#N)C3=C(C=CC(=C3)N)Cl

InChI

InChI=1S/C21H19BrClFN4/c1-2-3-4-19-16(9-13-5-6-14(22)10-18(13)24)21(12-25)28(27-19)20-11-15(26)7-8-17(20)23/h5-8,10-11H,2-4,9,26H2,1H3