N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-5-methyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-5-methyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-5-methyl-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-5-methyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide Traditional Name: 5-methyl-1-phenyl-N-[2-(piperonylcarbamoyl)phenyl]pyrazole-4-carboxamide Formula: C26H22N4O4 MolecularWeight: 454.47728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H22N4O4/c1-17-21(15-28-30(17)19-7-3-2-4-8-19)26(32)29-22-10-6-5-9-20(22)25(31)27-14-18-11-12-23-24(13-18)34-16-33-23/h2-13,15H,14,16H2,1H3,(H,27,31)(H,29,32)