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

Systemtic Name: 5-azanyl-3-[3-[(4-fluoranyl-2-nitro-phenyl)amino]propyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[3-(4-fluoro-2-nitro-anilino)propyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[3-(4-fluoro-2-nitroanilino)propyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[3-(4-fluoro-2-nitroanilino)propyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[3-(4-fluoro-2-nitro-anilino)propyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C19H17FN6O2 MolecularWeight: 380.375683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC3=C(C=C(C=C3)F)[N+](=O)[O-])C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC3=C(C=C(C=C3)F)[N+](=O)[O-])C#N)N

InChI

InChI=1S/C19H17FN6O2/c20-13-8-9-17(18(11-13)26(27)28)23-10-4-7-16-15(12-21)19(22)25(24-16)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,23H,4,7,10,22H2