1-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-(3-nitrophenyl)urea

Systemtic Name: 1-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-(3-nitrophenyl)urea Openeye Name: 1-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-(3-nitrophenyl)urea CAS Name: 1-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-3-(3-nitrophenyl)urea IUPAC Name: 1-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-(3-nitrophenyl)urea Traditional Name: 1-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-(3-nitrophenyl)urea Formula: C20H18FN7O3 MolecularWeight: 423.400423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18FN7O3/c21-13-6-8-15(9-7-13)27-19(23)17(12-22)18(26-27)5-2-10-24-20(29)25-14-3-1-4-16(11-14)28(30)31/h1,3-4,6-9,11H,2,5,10,23H2,(H2,24,25,29)