N-[4-(1-adamantyl)phenyl]-1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxamide Openeye Name: N-[4-(1-adamantyl)phenyl]-1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxamide CAS Name: N-[4-(1-adamantyl)phenyl]-1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolecarboxamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide Traditional Name: N-[4-(1-adamantyl)phenyl]-1-(2-chlorobenzyl)-3,5-dimethyl-pyrazole-4-carboxamide Formula: C29H32ClN3O MolecularWeight: 474.03688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H32ClN3O/c1-18-27(19(2)33(32-18)17-23-5-3-4-6-26(23)30)28(34)31-25-9-7-24(8-10-25)29-14-20-11-21(15-29)13-22(12-20)16-29/h3-10,20-22H,11-17H2,1-2H3,(H,31,34)