[4-bromanyl-3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-yl] N-methylcarbamate

Systemtic Name: [4-bromanyl-3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-yl] N-methylcarbamate Openeye Name: [3-bromo-2,2-dimethyl-1-[(4-phenylphenoxy)-(1,2,4-triazol-1-yl)methyl]propyl] N-methylcarbamate CAS Name: N-methylcarbamic acid [4-bromo-3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-yl] ester IUPAC Name: [4-bromo-3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-yl] N-methylcarbamate Traditional Name: N-methylcarbamic acid [3-bromo-2,2-dimethyl-1-[(4-phenylphenoxy)-(1,2,4-triazol-1-yl)methyl]propyl] ester Formula: C22H25BrN4O3 MolecularWeight: 473.3629

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CBr)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3)OC(=O)NC

Isomeric SMILES

CC(C)(CBr)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3)OC(=O)NC

InChI

InChI=1S/C22H25BrN4O3/c1-22(2,13-23)19(30-21(28)24-3)20(27-15-25-14-26-27)29-18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,14-15,19-20H,13H2,1-3H3,(H,24,28)