N-[(3-bromanyl-5-methoxy-4-propan-2-yloxy-phenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-amine

Systemtic Name: N-[(3-bromanyl-5-methoxy-4-propan-2-yloxy-phenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-amine Openeye Name: N-[(3-bromo-4-isopropoxy-5-methoxy-phenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-amine CAS Name: N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methyl]-3-(3,5-dimethyl-1-pyrazolyl)-1,2,4-triazol-4-amine IUPAC Name: N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-amine Traditional Name: (3-bromo-4-isopropoxy-5-methoxy-benzyl)-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]amine Formula: C18H23BrN6O2 MolecularWeight: 435.31822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=CN2NCC3=CC(=C(C(=C3)Br)OC(C)C)OC)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=CN2NCC3=CC(=C(C(=C3)Br)OC(C)C)OC)C

InChI

InChI=1S/C18H23BrN6O2/c1-11(2)27-17-15(19)7-14(8-16(17)26-5)9-21-24-10-20-22-18(24)25-13(4)6-12(3)23-25/h6-8,10-11,21H,9H2,1-5H3