tert-butyl 2-azanyl-4-[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoylamino]propyl]imidazole-1-carboxylate

Systemtic Name: tert-butyl 2-azanyl-4-[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoylamino]propyl]imidazole-1-carboxylate Openeye Name: tert-butyl 2-amino-4-[3-[(3-chloro-4-fluoro-phenyl)carbamoylamino]propyl]imidazole-1-carboxylate CAS Name: 2-amino-4-[3-[[(3-chloro-4-fluoroanilino)-oxomethyl]amino]propyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-4-[3-[(3-chloro-4-fluorophenyl)carbamoylamino]propyl]imidazole-1-carboxylate Traditional Name: 2-amino-4-[3-[(3-chloro-4-fluoro-phenyl)carbamoylamino]propyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C18H23ClFN5O3 MolecularWeight: 411.858323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(N=C1N)CCCNC(=O)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(N=C1N)CCCNC(=O)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C18H23ClFN5O3/c1-18(2,3)28-17(27)25-10-12(23-15(25)21)5-4-8-22-16(26)24-11-6-7-14(20)13(19)9-11/h6-7,9-10H,4-5,8H2,1-3H3,(H2,21,23)(H2,22,24,26)