N-[4-[5-(4-chlorophenyl)-1,2,3-triazol-1-yl]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[5-(4-chlorophenyl)-1,2,3-triazol-1-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[5-(4-chlorophenyl)triazol-1-yl]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[5-(4-chlorophenyl)-1-triazolyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[5-(4-chlorophenyl)triazol-1-yl]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[5-(4-chlorophenyl)triazol-1-yl]phenyl]adamantane-1-carboxamide Formula: C25H25ClN4O MolecularWeight: 432.9452

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)N5C(=CN=N5)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)N5C(=CN=N5)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C25H25ClN4O/c26-20-3-1-19(2-4-20)23-15-27-29-30(23)22-7-5-21(6-8-22)28-24(31)25-12-16-9-17(13-25)11-18(10-16)14-25/h1-8,15-18H,9-14H2,(H,28,31)