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

Systemtic Name: 1-[[3-(4-methylphenyl)-1-adamantyl]methyl]-3-propyl-urea Openeye Name: 1-propyl-3-[[3-(p-tolyl)-1-adamantyl]methyl]urea CAS Name: 1-[[3-(4-methylphenyl)-1-adamantyl]methyl]-3-propylurea IUPAC Name: 1-[[3-(4-methylphenyl)-1-adamantyl]methyl]-3-propylurea Traditional Name: 1-propyl-3-[[3-(p-tolyl)-1-adamantyl]methyl]urea Formula: C22H32N2O MolecularWeight: 340.50228

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NCC12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)C

Isomeric SMILES

CCCNC(=O)NCC12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H32N2O/c1-3-8-23-20(25)24-15-21-10-17-9-18(11-21)13-22(12-17,14-21)19-6-4-16(2)5-7-19/h4-7,17-18H,3,8-15H2,1-2H3,(H2,23,24,25)