3,3-dimethyl-1-(5-pyrrolidin-1-yl-1,2,3,4-tetrazol-2-yl)butan-2-one

Systemtic Name: 3,3-dimethyl-1-(5-pyrrolidin-1-yl-1,2,3,4-tetrazol-2-yl)butan-2-one Openeye Name: 3,3-dimethyl-1-(5-pyrrolidin-1-yltetrazol-2-yl)butan-2-one CAS Name: 3,3-dimethyl-1-[5-(1-pyrrolidinyl)-2-tetrazolyl]-2-butanone IUPAC Name: 3,3-dimethyl-1-(5-pyrrolidin-1-yltetrazol-2-yl)butan-2-one Traditional Name: 3,3-dimethyl-1-(5-pyrrolidinotetrazol-2-yl)butan-2-one Formula: C11H19N5O MolecularWeight: 237.30146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1N=C(N=N1)N2CCCC2

Isomeric SMILES

CC(C)(C)C(=O)CN1N=C(N=N1)N2CCCC2

InChI

InChI=1S/C11H19N5O/c1-11(2,3)9(17)8-16-13-10(12-14-16)15-6-4-5-7-15/h4-8H2,1-3H3