5-chloranyl-4-(chloromethyl)-4-methyl-1-phenyl-1-(1,2,4-triazol-1-yl)pentan-3-one

Systemtic Name: 5-chloranyl-4-(chloromethyl)-4-methyl-1-phenyl-1-(1,2,4-triazol-1-yl)pentan-3-one Openeye Name: 5-chloro-4-(chloromethyl)-4-methyl-1-phenyl-1-(1,2,4-triazol-1-yl)pentan-3-one CAS Name: 5-chloro-4-(chloromethyl)-4-methyl-1-phenyl-1-(1,2,4-triazol-1-yl)-3-pentanone IUPAC Name: 5-chloro-4-(chloromethyl)-4-methyl-1-phenyl-1-(1,2,4-triazol-1-yl)pentan-3-one Traditional Name: 5-chloro-4-(chloromethyl)-4-methyl-1-phenyl-1-(1,2,4-triazol-1-yl)pentan-3-one Formula: C15H17Cl2N3O MolecularWeight: 326.22098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17Cl2N3O/c1-15(8-16,9-17)14(21)7-13(20-11-18-10-19-20)12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3