4-[2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-1,2,3,4-tetrazol-5-yl]benzamide

Systemtic Name: 4-[2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-1,2,3,4-tetrazol-5-yl]benzamide Openeye Name: 4-[2-[2-(1-adamantyl)-2-oxo-ethyl]tetrazol-5-yl]benzamide CAS Name: 4-[2-[2-(1-adamantyl)-2-oxoethyl]-5-tetrazolyl]benzamide IUPAC Name: 4-[2-[2-(1-adamantyl)-2-oxoethyl]tetrazol-5-yl]benzamide Traditional Name: 4-[2-[2-(1-adamantyl)-2-keto-ethyl]tetrazol-5-yl]benzamide Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CN4N=C(N=N4)C5=CC=C(C=C5)C(=O)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CN4N=C(N=N4)C5=CC=C(C=C5)C(=O)N

InChI

InChI=1S/C20H23N5O2/c21-18(27)15-1-3-16(4-2-15)19-22-24-25(23-19)11-17(26)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14H,5-11H2,(H2,21,27)