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

Systemtic Name: 3-(1-adamantyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[1-[(4-chlorophenyl)methyl]-3-pyrazolyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[1-(4-chlorobenzyl)pyrazol-3-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=NN(C=C5)CC6=CC=C(C=C6)Cl)C7=CC=CC=C7

Isomeric SMILES

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

InChI

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