N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propyl]-1-[(2,4-dimethylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide Formula: C21H26BrN5O2 MolecularWeight: 460.36744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCN2C=CC(=N2)C(=O)NCCCN3C(=C(C(=N3)C)Br)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCN2C=CC(=N2)C(=O)NCCCN3C(=C(C(=N3)C)Br)C)C

InChI

InChI=1S/C21H26BrN5O2/c1-14-6-7-19(15(2)12-14)29-13-26-11-8-18(25-26)21(28)23-9-5-10-27-17(4)20(22)16(3)24-27/h6-8,11-12H,5,9-10,13H2,1-4H3,(H,23,28)