3-(1-adamantyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[1-[(4-chlorophenyl)methyl]-4-pyrazolyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[1-(4-chlorobenzyl)pyrazol-4-yl]-1-phenyl-pyrazole-4-carboxamide Formula: C30H30ClN5O MolecularWeight: 512.0451

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=CN(N=C5)CC6=CC=C(C=C6)Cl)C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=CN(N=C5)CC6=CC=C(C=C6)Cl)C7=CC=CC=C7

InChI

InChI=1S/C30H30ClN5O/c31-24-8-6-20(7-9-24)17-35-18-25(16-32-35)33-29(37)27-19-36(26-4-2-1-3-5-26)34-28(27)30-13-21-10-22(14-30)12-23(11-21)15-30/h1-9,16,18-19,21-23H,10-15,17H2,(H,33,37)