3-chloranyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]adamantane-1-carboxamide

Systemtic Name: 3-chloranyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]adamantane-1-carboxamide Openeye Name: N-[1-(2-benzyloxyethyl)pyrazol-4-yl]-3-chloro-adamantane-1-carboxamide CAS Name: 3-chloro-N-[1-(2-phenylmethoxyethyl)-4-pyrazolyl]-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]adamantane-1-carboxamide Traditional Name: N-[1-(2-benzoxyethyl)pyrazol-4-yl]-3-chloro-adamantane-1-carboxamide Formula: C23H28ClN3O2 MolecularWeight: 413.94032

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)NC4=CN(N=C4)CCOCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)NC4=CN(N=C4)CCOCC5=CC=CC=C5

InChI

InChI=1S/C23H28ClN3O2/c24-23-11-18-8-19(12-23)10-22(9-18,16-23)21(28)26-20-13-25-27(14-20)6-7-29-15-17-4-2-1-3-5-17/h1-5,13-14,18-19H,6-12,15-16H2,(H,26,28)