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

Systemtic Name: 2-[(4-chlorophenyl)methyl]-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-1-one Openeye Name: 2-[(4-chlorophenyl)methyl]-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-1-one CAS Name: 2-[(4-chlorophenyl)methyl]-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-1-butanone IUPAC Name: 2-[(4-chlorophenyl)methyl]-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-1-one Traditional Name: 2-(4-chlorobenzyl)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-1-one Formula: C15H18ClN3O MolecularWeight: 291.77592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O/c1-15(2,3)13(14(20)19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13H,8H2,1-3H3