4-bromanyl-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1,5-dimethyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1,5-dimethyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1,5-dimethylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[4-(3,4-diethoxybenzyl)oxyphenyl]-1,5-dimethyl-pyrazole-3-carboxamide Formula: C23H26BrN3O4 MolecularWeight: 488.37424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)COC2=CC=C(C=C2)NC(=O)C3=NN(C(=C3Br)C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)COC2=CC=C(C=C2)NC(=O)C3=NN(C(=C3Br)C)C)OCC

InChI

InChI=1S/C23H26BrN3O4/c1-5-29-19-12-7-16(13-20(19)30-6-2)14-31-18-10-8-17(9-11-18)25-23(28)22-21(24)15(3)27(4)26-22/h7-13H,5-6,14H2,1-4H3,(H,25,28)