1-phenethyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea

Systemtic Name: 1-phenethyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea Openeye Name: 1-phenethyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea CAS Name: 1-phenethyl-3-[(1,3,5-trimethyl-4-pyrazolyl)methyl]urea IUPAC Name: 1-phenethyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea Traditional Name: 1-phenethyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea Formula: C16H22N4O MolecularWeight: 286.37208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CNC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NN1C)C)CNC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C16H22N4O/c1-12-15(13(2)20(3)19-12)11-18-16(21)17-10-9-14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3,(H2,17,18,21)