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1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(4-nitrophenyl)-1-adamantyl]urea

1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(4-nitrophenyl)-1-adamantyl]urea

Systemtic Name:1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(4-nitrophenyl)-1-adamantyl]urea
Openeye Name:1-(5-methylisoxazol-3-yl)-3-[3-(4-nitrophenyl)-1-adamantyl]urea
CAS Name:1-(5-methyl-3-isoxazolyl)-3-[3-(4-nitrophenyl)-1-adamantyl]urea
IUPAC Name:1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(4-nitrophenyl)-1-adamantyl]urea
Traditional Name:1-(5-methylisoxazol-3-yl)-3-[3-(4-nitrophenyl)-1-adamantyl]urea
Formula: C21H24N4O4
MolecularWeight: 396.43966
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)NC23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)[N+](=O)[O-]


Isomeric SMILES

CC1=CC(=NO1)NC(=O)NC23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)[N+](=O)[O-]


InChI

InChI=1S/C21H24N4O4/c1-13-6-18(24-29-13)22-19(26)23-21-10-14-7-15(11-21)9-20(8-14,12-21)16-2-4-17(5-3-16)25(27)28/h2-6,14-15H,7-12H2,1H3,(H2,22,23,24,26)


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