6-methyl-3-[[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]-pyrrolidin-1-yl-methyl]chromen-4-one

Systemtic Name: 6-methyl-3-[[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]-pyrrolidin-1-yl-methyl]chromen-4-one Openeye Name: 3-[[1-(1,1-dimethylpropyl)tetrazol-5-yl]-pyrrolidin-1-yl-methyl]-6-methyl-chromen-4-one CAS Name: 6-methyl-3-[[1-(2-methylbutan-2-yl)-5-tetrazolyl]-(1-pyrrolidinyl)methyl]-1-benzopyran-4-one IUPAC Name: 6-methyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyrrolidin-1-ylmethyl]chromen-4-one Traditional Name: 3-[(1-tert-amyltetrazol-5-yl)-pyrrolidino-methyl]-6-methyl-chromone Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N1C(=NN=N1)C(C2=COC3=C(C2=O)C=C(C=C3)C)N4CCCC4

Isomeric SMILES

CCC(C)(C)N1C(=NN=N1)C(C2=COC3=C(C2=O)C=C(C=C3)C)N4CCCC4

InChI

InChI=1S/C21H27N5O2/c1-5-21(3,4)26-20(22-23-24-26)18(25-10-6-7-11-25)16-13-28-17-9-8-14(2)12-15(17)19(16)27/h8-9,12-13,18H,5-7,10-11H2,1-4H3