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

Systemtic Name: 1-[(1S)-1-(1-adamantyl)propyl]-3-(4-chloranyl-2-fluoranyl-phenyl)urea Openeye Name: 1-[(1S)-1-(1-adamantyl)propyl]-3-(4-chloro-2-fluoro-phenyl)urea CAS Name: 1-[(1S)-1-(1-adamantyl)propyl]-3-(4-chloro-2-fluorophenyl)urea IUPAC Name: 1-[(1S)-1-(1-adamantyl)propyl]-3-(4-chloro-2-fluorophenyl)urea Traditional Name: 1-[(1S)-1-(1-adamantyl)propyl]-3-(4-chloro-2-fluoro-phenyl)urea Formula: C20H26ClFN2O MolecularWeight: 364.884643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClFN2O/c1-2-18(20-9-12-5-13(10-20)7-14(6-12)11-20)24-19(25)23-17-4-3-15(21)8-16(17)22/h3-4,8,12-14,18H,2,5-7,9-11H2,1H3,(H2,23,24,25)/t12?,13?,14?,18-,20?/m0/s1