N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]adamantane-1-carboxamide Openeye Name: N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]adamantane-1-carboxamide CAS Name: N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-1-adamantanecarboxamide IUPAC Name: N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]adamantane-1-carboxamide Traditional Name: N-[1-(2,4-dichlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]adamantane-1-carboxamide Formula: C23H27Cl2N3O MolecularWeight: 432.38598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=C(C=C2)Cl)Cl)C)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=C(C=C2)Cl)Cl)C)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H27Cl2N3O/c1-13-21(14(2)28(27-13)12-18-3-4-19(24)8-20(18)25)26-22(29)23-9-15-5-16(10-23)7-17(6-15)11-23/h3-4,8,15-17H,5-7,9-12H2,1-2H3,(H,26,29)