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

Systemtic Name: N-[1-(1-adamantyl)propyl]-1-[(4-chloranyl-2-methyl-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[1-(1-adamantyl)propyl]-1-[(4-chloro-2-methyl-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[1-(1-adamantyl)propyl]-1-[(4-chloro-2-methylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[1-(1-adamantyl)propyl]-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[1-(1-adamantyl)propyl]-1-[(4-chloro-2-methyl-phenoxy)methyl]pyrazole-3-carboxamide Formula: C25H32ClN3O2 MolecularWeight: 441.99348

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H32ClN3O2/c1-3-23(25-12-17-9-18(13-25)11-19(10-17)14-25)27-24(30)21-6-7-29(28-21)15-31-22-5-4-20(26)8-16(22)2/h4-8,17-19,23H,3,9-15H2,1-2H3,(H,27,30)