2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]propanamide

Systemtic Name: 2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]propanamide Openeye Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]propanamide CAS Name: 2-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-[1-[(4-ethylphenoxy)methyl]-4-pyrazolyl]propanamide IUPAC Name: 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]propanamide Traditional Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]propionamide Formula: C20H24BrN5O2 MolecularWeight: 446.34086

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCN2C=C(C=N2)NC(=O)C(C)N3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CCC1=CC=C(C=C1)OCN2C=C(C=N2)NC(=O)C(C)N3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C20H24BrN5O2/c1-5-16-6-8-18(9-7-16)28-12-25-11-17(10-22-25)23-20(27)15(4)26-14(3)19(21)13(2)24-26/h6-11,15H,5,12H2,1-4H3,(H,23,27)