1-[(4-bromanylpyrazol-1-yl)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanylpyrazol-1-yl)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-1-pyrazolyl)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-[4-(3,4-diethoxybenzyl)oxyphenyl]pyrazole-3-carboxamide Formula: C25H26BrN5O4 MolecularWeight: 540.40904

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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=C3)CN4C=C(C=N4)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)COC2=CC=C(C=C2)NC(=O)C3=NN(C=C3)CN4C=C(C=N4)Br)OCC

InChI

InChI=1S/C25H26BrN5O4/c1-3-33-23-10-5-18(13-24(23)34-4-2)16-35-21-8-6-20(7-9-21)28-25(32)22-11-12-30(29-22)17-31-15-19(26)14-27-31/h5-15H,3-4,16-17H2,1-2H3,(H,28,32)