1-[(4-bromanylphenoxy)methyl]-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanylphenoxy)methyl]-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenoxy)methyl]-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenoxy)methyl]-N-[1-[(3,4-diethoxyphenyl)methyl]-4-pyrazolyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenoxy)methyl]-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide Traditional Name: 1-[(4-bromophenoxy)methyl]-N-[1-(3,4-diethoxybenzyl)pyrazol-4-yl]pyrazole-3-carboxamide Formula: C25H26BrN5O4 MolecularWeight: 540.40904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C=C(C=N2)NC(=O)C3=NN(C=C3)COC4=CC=C(C=C4)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C=C(C=N2)NC(=O)C3=NN(C=C3)COC4=CC=C(C=C4)Br)OCC

InChI

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