1-cycloheptyl-1-[[3-(1-methylpyrazol-3-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea

Systemtic Name: 1-cycloheptyl-1-[[3-(1-methylpyrazol-3-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea Openeye Name: 1-cycloheptyl-1-[[3-(1-methylpyrazol-3-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea CAS Name: 1-cycloheptyl-1-[[3-(1-methyl-3-pyrazolyl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea IUPAC Name: 1-cycloheptyl-1-[[3-(1-methylpyrazol-3-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea Traditional Name: 1-cycloheptyl-3-mesityl-1-[3-(1-methylpyrazol-3-yl)benzyl]urea Formula: C28H36N4O MolecularWeight: 444.61164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)N(CC2=CC=CC(=C2)C3=NN(C=C3)C)C4CCCCCC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)N(CC2=CC=CC(=C2)C3=NN(C=C3)C)C4CCCCCC4)C

InChI

InChI=1S/C28H36N4O/c1-20-16-21(2)27(22(3)17-20)29-28(33)32(25-12-7-5-6-8-13-25)19-23-10-9-11-24(18-23)26-14-15-31(4)30-26/h9-11,14-18,25H,5-8,12-13,19H2,1-4H3,(H,29,33)