1-[3-(4-methylphenyl)-1-adamantyl]-3-propyl-urea

Systemtic Name: 1-[3-(4-methylphenyl)-1-adamantyl]-3-propyl-urea Openeye Name: 1-propyl-3-[3-(p-tolyl)-1-adamantyl]urea CAS Name: 1-[3-(4-methylphenyl)-1-adamantyl]-3-propylurea IUPAC Name: 1-[3-(4-methylphenyl)-1-adamantyl]-3-propylurea Traditional Name: 1-propyl-3-[3-(p-tolyl)-1-adamantyl]urea Formula: C21H30N2O MolecularWeight: 326.4757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)C

Isomeric SMILES

CCCNC(=O)NC12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H30N2O/c1-3-8-22-19(24)23-21-12-16-9-17(13-21)11-20(10-16,14-21)18-6-4-15(2)5-7-18/h4-7,16-17H,3,8-14H2,1-2H3,(H2,22,23,24)