1,1-dimethyl-3-[[(5S,7R)-3-(4-nitrophenyl)-1-adamantyl]methyl]urea

Systemtic Name: 1,1-dimethyl-3-[[(5S,7R)-3-(4-nitrophenyl)-1-adamantyl]methyl]urea Openeye Name: 1,1-dimethyl-3-[[(5S,7R)-3-(4-nitrophenyl)-1-adamantyl]methyl]urea CAS Name: 1,1-dimethyl-3-[[(5S,7R)-3-(4-nitrophenyl)-1-adamantyl]methyl]urea IUPAC Name: 1,1-dimethyl-3-[[(5S,7R)-3-(4-nitrophenyl)-1-adamantyl]methyl]urea Traditional Name: 1,1-dimethyl-3-[[(5S,7R)-3-(4-nitrophenyl)-1-adamantyl]methyl]urea Formula: C20H27N3O3 MolecularWeight: 357.44668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NCC12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)NCC12C[C@H]3C[C@@H](C1)CC(C3)(C2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O3/c1-22(2)18(24)21-13-19-8-14-7-15(9-19)11-20(10-14,12-19)16-3-5-17(6-4-16)23(25)26/h3-6,14-15H,7-13H2,1-2H3,(H,21,24)/t14-,15+,19?,20?