2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]propanamide

Systemtic Name: 2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]propanamide Openeye Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]propanamide CAS Name: 2-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]propanamide IUPAC Name: 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]propanamide Traditional Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[4-(3,4-diethoxybenzyl)oxyphenyl]propionamide Formula: C25H30BrN3O4 MolecularWeight: 516.4274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)COC2=CC=C(C=C2)NC(=O)C(C)N3C(=C(C(=N3)C)Br)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)COC2=CC=C(C=C2)NC(=O)C(C)N3C(=C(C(=N3)C)Br)C)OCC

InChI

InChI=1S/C25H30BrN3O4/c1-6-31-22-13-8-19(14-23(22)32-7-2)15-33-21-11-9-20(10-12-21)27-25(30)18(5)29-17(4)24(26)16(3)28-29/h8-14,18H,6-7,15H2,1-5H3,(H,27,30)