1-[3-(tert-butylcarbamoylamino)propyl]-1-(4-fluorophenyl)-3-(4-nitrophenyl)urea

Systemtic Name: 1-[3-(tert-butylcarbamoylamino)propyl]-1-(4-fluorophenyl)-3-(4-nitrophenyl)urea Openeye Name: 1-[3-(tert-butylcarbamoylamino)propyl]-1-(4-fluorophenyl)-3-(4-nitrophenyl)urea CAS Name: 1-[3-[[(tert-butylamino)-oxomethyl]amino]propyl]-1-(4-fluorophenyl)-3-(4-nitrophenyl)urea IUPAC Name: 1-[3-(tert-butylcarbamoylamino)propyl]-1-(4-fluorophenyl)-3-(4-nitrophenyl)urea Traditional Name: 1-[3-(tert-butylcarbamoylamino)propyl]-1-(4-fluorophenyl)-3-(4-nitrophenyl)urea Formula: C21H26FN5O4 MolecularWeight: 431.460643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NCCCN(C1=CC=C(C=C1)F)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)NCCCN(C1=CC=C(C=C1)F)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H26FN5O4/c1-21(2,3)25-19(28)23-13-4-14-26(17-9-5-15(22)6-10-17)20(29)24-16-7-11-18(12-8-16)27(30)31/h5-12H,4,13-14H2,1-3H3,(H,24,29)(H2,23,25,28)