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

Systemtic Name: 1-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-(4-methoxyphenyl)urea Openeye Name: 1-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-(4-methoxyphenyl)urea CAS Name: 1-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-3-(4-methoxyphenyl)urea IUPAC Name: 1-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-(4-methoxyphenyl)urea Traditional Name: 1-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-(4-methoxyphenyl)urea Formula: C21H21FN6O2 MolecularWeight: 408.428843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN6O2/c1-30-17-10-6-15(7-11-17)26-21(29)25-12-2-3-19-18(13-23)20(24)28(27-19)16-8-4-14(22)5-9-16/h4-11H,2-3,12,24H2,1H3,(H2,25,26,29)