1-[5-azanyl-3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]-3-phenethyl-urea

Systemtic Name: 1-[5-azanyl-3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]-3-phenethyl-urea Openeye Name: 1-[5-amino-3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]-3-phenethyl-urea CAS Name: 1-[5-amino-3-(4-chlorophenyl)-1-(4-fluorophenyl)-4-pyrazolyl]-3-phenethylurea IUPAC Name: 1-[5-amino-3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]-3-phenethylurea Traditional Name: 1-[5-amino-3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]-3-phenethyl-urea Formula: C24H21ClFN5O MolecularWeight: 449.907843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)NC2=C(N(N=C2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F)N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)NC2=C(N(N=C2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F)N

InChI

InChI=1S/C24H21ClFN5O/c25-18-8-6-17(7-9-18)21-22(23(27)31(30-21)20-12-10-19(26)11-13-20)29-24(32)28-15-14-16-4-2-1-3-5-16/h1-13H,14-15,27H2,(H2,28,29,32)