3-azanyl-5-[4-(diethylamino)phenyl]-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[4-(diethylamino)phenyl]-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[4-(diethylamino)phenyl]-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[4-(diethylamino)phenyl]-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[4-(diethylamino)phenyl]-2-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonitrile Traditional Name: 5-amino-3-[4-(diethylamino)phenyl]-1-phenyl-3-(trifluoromethyl)-3-pyrazoline-4-carbonitrile Formula: C21H22F3N5 MolecularWeight: 401.42809

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2(C(=C(N(N2)C3=CC=CC=C3)N)C#N)C(F)(F)F

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2(C(=C(N(N2)C3=CC=CC=C3)N)C#N)C(F)(F)F

InChI

InChI=1S/C21H22F3N5/c1-3-28(4-2)16-12-10-15(11-13-16)20(21(22,23)24)18(14-25)19(26)29(27-20)17-8-6-5-7-9-17/h5-13,27H,3-4,26H2,1-2H3