1-(4-butylphenyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea

Systemtic Name: 1-(4-butylphenyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea Openeye Name: 1-(4-butylphenyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea CAS Name: 1-(4-butylphenyl)-3-[[4-(1-pyrazolyl)phenyl]methyl]urea IUPAC Name: 1-(4-butylphenyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea Traditional Name: 1-(4-butylphenyl)-3-(4-pyrazol-1-ylbenzyl)urea Formula: C21H24N4O MolecularWeight: 348.44146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)NCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)NCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C21H24N4O/c1-2-3-5-17-6-10-19(11-7-17)24-21(26)22-16-18-8-12-20(13-9-18)25-15-4-14-23-25/h4,6-15H,2-3,5,16H2,1H3,(H2,22,24,26)