N-(2-adamantyl)-3-[(4-chloranylpyrazol-1-yl)methyl]benzamide

Systemtic Name: N-(2-adamantyl)-3-[(4-chloranylpyrazol-1-yl)methyl]benzamide Openeye Name: N-(2-adamantyl)-3-[(4-chloropyrazol-1-yl)methyl]benzamide CAS Name: N-(2-adamantyl)-3-[(4-chloro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(2-adamantyl)-3-[(4-chloropyrazol-1-yl)methyl]benzamide Traditional Name: N-(2-adamantyl)-3-[(4-chloropyrazol-1-yl)methyl]benzamide Formula: C21H24ClN3O MolecularWeight: 369.88776

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C4=CC(=CC=C4)CN5C=C(C=N5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)C4=CC(=CC=C4)CN5C=C(C=N5)Cl

InChI

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