1-adamantyl-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)methanone

Systemtic Name: 1-adamantyl-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)methanone Openeye Name: 1-adamantyl-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)methanone CAS Name: 1-adamantyl-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)methanone IUPAC Name: 1-adamantyl-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)methanone Traditional Name: 1-adamantyl-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)methanone Formula: C23H29N3O2 MolecularWeight: 379.49526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC=CC=C2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC=CC=C2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H29N3O2/c1-2-3-9-28-22-24-20(19-7-5-4-6-8-19)26(25-22)21(27)23-13-16-10-17(14-23)12-18(11-16)15-23/h4-8,16-18H,2-3,9-15H2,1H3