2-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-1-one

Systemtic Name: 2-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-1-one Openeye Name: 2-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-1-one CAS Name: 2-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-1-butanone IUPAC Name: 2-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-1-one Traditional Name: 3,3-dimethyl-2-p-anisyl-1-(1,2,4-triazol-1-yl)butan-1-one Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2/c1-16(2,3)14(15(20)19-11-17-10-18-19)9-12-5-7-13(21-4)8-6-12/h5-8,10-11,14H,9H2,1-4H3