3-(1-adamantyl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[1-(2-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=CC=C6Cl)C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=CN(N=C5)CC6=CC=CC=C6Cl)C7=CC=CC=C7

InChI

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