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

Systemtic Name: 3-chloranyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]adamantane-1-carboxamide Openeye Name: 3-chloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]adamantane-1-carboxamide CAS Name: 3-chloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]adamantane-1-carboxamide Traditional Name: 3-chloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]adamantane-1-carboxamide Formula: C21H25ClN4O MolecularWeight: 384.9024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O/c1-14(17-2-4-18(5-3-17)26-13-23-12-24-26)25-19(27)20-7-15-6-16(8-20)10-21(22,9-15)11-20/h2-5,12-16H,6-11H2,1H3,(H,25,27)