2,2-dimethyl-4-(1,2,4-triazol-1-yl)dodecan-3-one

Systemtic Name: 2,2-dimethyl-4-(1,2,4-triazol-1-yl)dodecan-3-one Openeye Name: 2,2-dimethyl-4-(1,2,4-triazol-1-yl)dodecan-3-one CAS Name: 2,2-dimethyl-4-(1,2,4-triazol-1-yl)-3-dodecanone IUPAC Name: 2,2-dimethyl-4-(1,2,4-triazol-1-yl)dodecan-3-one Traditional Name: 2,2-dimethyl-4-(1,2,4-triazol-1-yl)dodecan-3-one Formula: C16H29N3O MolecularWeight: 279.42096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)C(C)(C)C)N1C=NC=N1

Isomeric SMILES

CCCCCCCCC(C(=O)C(C)(C)C)N1C=NC=N1

InChI

InChI=1S/C16H29N3O/c1-5-6-7-8-9-10-11-14(15(20)16(2,3)4)19-13-17-12-18-19/h12-14H,5-11H2,1-4H3