3-chloranyl-N-[(1-phenylpyrazol-4-yl)methyl]adamantane-1-carboxamide

Systemtic Name: 3-chloranyl-N-[(1-phenylpyrazol-4-yl)methyl]adamantane-1-carboxamide Openeye Name: 3-chloro-N-[(1-phenylpyrazol-4-yl)methyl]adamantane-1-carboxamide CAS Name: 3-chloro-N-[(1-phenyl-4-pyrazolyl)methyl]-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-[(1-phenylpyrazol-4-yl)methyl]adamantane-1-carboxamide Traditional Name: 3-chloro-N-[(1-phenylpyrazol-4-yl)methyl]adamantane-1-carboxamide Formula: C21H24ClN3O MolecularWeight: 369.88776

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)NCC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)NCC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C21H24ClN3O/c22-21-9-15-6-16(10-21)8-20(7-15,14-21)19(26)23-11-17-12-24-25(13-17)18-4-2-1-3-5-18/h1-5,12-13,15-16H,6-11,14H2,(H,23,26)