3-(1-adamantyl)-N-[3-(4-chloranylpyrazol-1-yl)propyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[3-(4-chloranylpyrazol-1-yl)propyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[3-(4-chloropyrazol-1-yl)propyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[3-(4-chloro-1-pyrazolyl)propyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[3-(4-chloropyrazol-1-yl)propyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[3-(4-chloropyrazol-1-yl)propyl]-1-phenyl-pyrazole-4-carboxamide Formula: C26H30ClN5O MolecularWeight: 464.0023

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NCCCN5C=C(C=N5)Cl)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NCCCN5C=C(C=N5)Cl)C6=CC=CC=C6

InChI

InChI=1S/C26H30ClN5O/c27-21-15-29-31(16-21)8-4-7-28-25(33)23-17-32(22-5-2-1-3-6-22)30-24(23)26-12-18-9-19(13-26)11-20(10-18)14-26/h1-3,5-6,15-20H,4,7-14H2,(H,28,33)