1-[(1S)-1-(1-adamantyl)butyl]-3-(4-chloranyl-2-fluoranyl-phenyl)urea

Systemtic Name: 1-[(1S)-1-(1-adamantyl)butyl]-3-(4-chloranyl-2-fluoranyl-phenyl)urea Openeye Name: 1-[(1S)-1-(1-adamantyl)butyl]-3-(4-chloro-2-fluoro-phenyl)urea CAS Name: 1-[(1S)-1-(1-adamantyl)butyl]-3-(4-chloro-2-fluorophenyl)urea IUPAC Name: 1-[(1S)-1-(1-adamantyl)butyl]-3-(4-chloro-2-fluorophenyl)urea Traditional Name: 1-[(1S)-1-(1-adamantyl)butyl]-3-(4-chloro-2-fluoro-phenyl)urea Formula: C21H28ClFN2O MolecularWeight: 378.911223

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=O)NC4=C(C=C(C=C4)Cl)F

Isomeric SMILES

CCC[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=O)NC4=C(C=C(C=C4)Cl)F

InChI

InChI=1S/C21H28ClFN2O/c1-2-3-19(21-10-13-6-14(11-21)8-15(7-13)12-21)25-20(26)24-18-5-4-16(22)9-17(18)23/h4-5,9,13-15,19H,2-3,6-8,10-12H2,1H3,(H2,24,25,26)/t13?,14?,15?,19-,21?/m0/s1