N-[1-(1-adamantyl)propyl]-1-[(2-bromanyl-4-chloranyl-phenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[1-(1-adamantyl)propyl]-1-[(2-bromanyl-4-chloranyl-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[1-(1-adamantyl)propyl]-1-[(2-bromo-4-chloro-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[1-(1-adamantyl)propyl]-1-[(2-bromo-4-chlorophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[1-(1-adamantyl)propyl]-1-[(2-bromo-4-chlorophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[1-(1-adamantyl)propyl]-1-[(2-bromo-4-chloro-phenoxy)methyl]pyrazole-3-carboxamide Formula: C24H29BrClN3O2 MolecularWeight: 506.86296

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C=C4)COC5=C(C=C(C=C5)Cl)Br

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C=C4)COC5=C(C=C(C=C5)Cl)Br

InChI

InChI=1S/C24H29BrClN3O2/c1-2-22(24-11-15-7-16(12-24)9-17(8-15)13-24)27-23(30)20-5-6-29(28-20)14-31-21-4-3-18(26)10-19(21)25/h3-6,10,15-17,22H,2,7-9,11-14H2,1H3,(H,27,30)