3-chloranyl-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]adamantane-1-carboxamide

Systemtic Name: 3-chloranyl-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]adamantane-1-carboxamide Openeye Name: 3-chloro-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]adamantane-1-carboxamide CAS Name: 3-chloro-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]adamantane-1-carboxamide Traditional Name: 3-chloro-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]adamantane-1-carboxamide Formula: C22H27ClN4O MolecularWeight: 398.92898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=NC=N2)N(C)C(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=NC=N2)N(C)C(=O)C34CC5CC(C3)CC(C5)(C4)Cl

InChI

InChI=1S/C22H27ClN4O/c1-15(18-3-5-19(6-4-18)27-14-24-13-25-27)26(2)20(28)21-8-16-7-17(9-21)11-22(23,10-16)12-21/h3-6,13-17H,7-12H2,1-2H3