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

Systemtic Name: 3,3-dimethyl-2-(phenylmethyl)-1-(1,2,4-triazol-1-yl)butan-1-one Openeye Name: 2-benzyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-1-one CAS Name: 3,3-dimethyl-2-(phenylmethyl)-1-(1,2,4-triazol-1-yl)-1-butanone IUPAC Name: 2-benzyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-1-one Traditional Name: 2-benzyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-1-one Formula: C15H19N3O MolecularWeight: 257.33086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CC1=CC=CC=C1)C(=O)N2C=NC=N2

Isomeric SMILES

CC(C)(C)C(CC1=CC=CC=C1)C(=O)N2C=NC=N2

InChI

InChI=1S/C15H19N3O/c1-15(2,3)13(9-12-7-5-4-6-8-12)14(19)18-11-16-10-17-18/h4-8,10-11,13H,9H2,1-3H3