2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-5-butyl-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-5-butyl-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]-5-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one CAS Name: 2-[2-(1-adamantyl)-2-oxoethyl]-5-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]-5-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one Traditional Name: 2-[2-(1-adamantyl)-2-keto-ethyl]-5-butyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-1,2,4-triazol-3-one Formula: C32H37N7O2 MolecularWeight: 551.68188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CC(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CC(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C32H37N7O2/c1-2-3-8-29-35-39(20-28(40)32-16-22-13-23(17-32)15-24(14-22)18-32)31(41)38(29)19-21-9-11-25(12-10-21)26-6-4-5-7-27(26)30-33-36-37-34-30/h4-7,9-12,22-24H,2-3,8,13-20H2,1H3,(H,33,34,36,37)