1-(4-bromophenyl)-N-[(3-methoxy-4-propoxy-phenyl)methyl]-5-methyl-pyrazole-4-carboxamide

Systemtic Name: 1-(4-bromophenyl)-N-[(3-methoxy-4-propoxy-phenyl)methyl]-5-methyl-pyrazole-4-carboxamide Openeye Name: 1-(4-bromophenyl)-N-[(3-methoxy-4-propoxy-phenyl)methyl]-5-methyl-pyrazole-4-carboxamide CAS Name: 1-(4-bromophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-4-pyrazolecarboxamide IUPAC Name: 1-(4-bromophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-methylpyrazole-4-carboxamide Traditional Name: 1-(4-bromophenyl)-N-(3-methoxy-4-propoxy-benzyl)-5-methyl-pyrazole-4-carboxamide Formula: C22H24BrN3O3 MolecularWeight: 458.34826

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CNC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Br)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CNC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Br)C)OC

InChI

InChI=1S/C22H24BrN3O3/c1-4-11-29-20-10-5-16(12-21(20)28-3)13-24-22(27)19-14-25-26(15(19)2)18-8-6-17(23)7-9-18/h5-10,12,14H,4,11,13H2,1-3H3,(H,24,27)