1-[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-3-chloranyl-2,2-dimethyl-propan-1-one

Systemtic Name: 1-[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-3-chloranyl-2,2-dimethyl-propan-1-one Openeye Name: 1-[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-3-chloro-2,2-dimethyl-propan-1-one CAS Name: 1-[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-3-chloro-2,2-dimethyl-1-propanone IUPAC Name: 1-[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-3-chloro-2,2-dimethylpropan-1-one Traditional Name: 1-[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-3-chloro-2,2-dimethyl-propan-1-one Formula: C21H30ClN3O2 MolecularWeight: 391.9348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)C(C)(C)CCl

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)C(C)(C)CCl

InChI

InChI=1S/C21H30ClN3O2/c1-7-8-13-27-19-23-17(25(24-19)18(26)21(5,6)14-22)15-9-11-16(12-10-15)20(2,3)4/h9-12H,7-8,13-14H2,1-6H3