4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]thiophene-2-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]thiophene-2-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]thiophene-2-carboxamide CAS Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-2-thiophenecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-(4-bromobenzyl)-3,5-dimethyl-pyrazol-4-yl]thiophene-2-carboxamide Formula: C25H22BrN3O4S MolecularWeight: 540.42888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=O)C3=CC(=CS3)COC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=O)C3=CC(=CS3)COC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H22BrN3O4S/c1-15-24(16(2)29(28-15)11-17-3-5-19(26)6-4-17)27-25(30)23-9-18(13-34-23)12-31-20-7-8-21-22(10-20)33-14-32-21/h3-10,13H,11-12,14H2,1-2H3,(H,27,30)