1-(5-azanyl-1-tert-butyl-3-phenyl-pyrazol-4-yl)-3-phenethyl-urea

Systemtic Name: 1-(5-azanyl-1-tert-butyl-3-phenyl-pyrazol-4-yl)-3-phenethyl-urea Openeye Name: 1-(5-amino-1-tert-butyl-3-phenyl-pyrazol-4-yl)-3-phenethyl-urea CAS Name: 1-(5-amino-1-tert-butyl-3-phenyl-4-pyrazolyl)-3-phenethylurea IUPAC Name: 1-(5-amino-1-tert-butyl-3-phenylpyrazol-4-yl)-3-phenethylurea Traditional Name: 1-(5-amino-1-tert-butyl-3-phenyl-pyrazol-4-yl)-3-phenethyl-urea Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C(=N1)C2=CC=CC=C2)NC(=O)NCCC3=CC=CC=C3)N

Isomeric SMILES

CC(C)(C)N1C(=C(C(=N1)C2=CC=CC=C2)NC(=O)NCCC3=CC=CC=C3)N

InChI

InChI=1S/C22H27N5O/c1-22(2,3)27-20(23)19(18(26-27)17-12-8-5-9-13-17)25-21(28)24-15-14-16-10-6-4-7-11-16/h4-13H,14-15,23H2,1-3H3,(H2,24,25,28)