5-azanyl-3-[3-[(4-ethanoyl-2-nitro-phenyl)amino]propyl]-1-(4-fluorophenyl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[3-[(4-ethanoyl-2-nitro-phenyl)amino]propyl]-1-(4-fluorophenyl)pyrazole-4-carbonitrile Openeye Name: 3-[3-(4-acetyl-2-nitro-anilino)propyl]-5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile CAS Name: 3-[3-(4-acetyl-2-nitroanilino)propyl]-5-amino-1-(4-fluorophenyl)-4-pyrazolecarbonitrile IUPAC Name: 3-[3-(4-acetyl-2-nitroanilino)propyl]-5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile Traditional Name: 3-[3-(4-acetyl-2-nitro-anilino)propyl]-5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile Formula: C21H19FN6O3 MolecularWeight: 422.412363

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H19FN6O3/c1-13(29)14-4-9-19(20(11-14)28(30)31)25-10-2-3-18-17(12-23)21(24)27(26-18)16-7-5-15(22)6-8-16/h4-9,11,25H,2-3,10,24H2,1H3