(4-pyrazol-1-ylphenyl)methyl 3-chloranyladamantane-1-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 3-chloranyladamantane-1-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C21H23ClN2O2 MolecularWeight: 370.87252

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C21H23ClN2O2/c22-21-11-16-8-17(12-21)10-20(9-16,14-21)19(25)26-13-15-2-4-18(5-3-15)24-7-1-6-23-24/h1-7,16-17H,8-14H2