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

Systemtic Name: 4-bromanyl-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[4-(3,4-diethoxybenzyl)oxyphenyl]-1H-pyrazole-5-carboxamide Formula: C21H22BrN3O4 MolecularWeight: 460.32108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)COC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)COC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)Br)OCC

InChI

InChI=1S/C21H22BrN3O4/c1-3-27-18-10-5-14(11-19(18)28-4-2)13-29-16-8-6-15(7-9-16)24-21(26)20-17(22)12-23-25-20/h5-12H,3-4,13H2,1-2H3,(H,23,25)(H,24,26)