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

Systemtic Name: N-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]adamantane-1-carboxamide Openeye Name: N-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]adamantane-1-carboxamide CAS Name: N-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-1-adamantanecarboxamide IUPAC Name: N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]adamantane-1-carboxamide Traditional Name: N-[1-(2-chlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]adamantane-1-carboxamide Formula: C23H28ClN3O MolecularWeight: 397.94092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H28ClN3O/c1-14-21(15(2)27(26-14)13-19-5-3-4-6-20(19)24)25-22(28)23-10-16-7-17(11-23)9-18(8-16)12-23/h3-6,16-18H,7-13H2,1-2H3,(H,25,28)