3-chloranyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]adamantane-1-carboxamide

Systemtic Name: 3-chloranyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]adamantane-1-carboxamide Openeye Name: 3-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]adamantane-1-carboxamide CAS Name: 3-chloro-N-[3-(2-methyl-4-pyrimidinyl)phenyl]-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]adamantane-1-carboxamide Traditional Name: 3-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]adamantane-1-carboxamide Formula: C22H24ClN3O MolecularWeight: 381.89846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

InChI

InChI=1S/C22H24ClN3O/c1-14-24-6-5-19(25-14)17-3-2-4-18(8-17)26-20(27)21-9-15-7-16(10-21)12-22(23,11-15)13-21/h2-6,8,15-16H,7,9-13H2,1H3,(H,26,27)