N-[[3-[(2-methylpropylcarbamoylamino)methyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[3-[(2-methylpropylcarbamoylamino)methyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[3-[(isobutylcarbamoylamino)methyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[3-[[[(2-methylpropylamino)-oxomethyl]amino]methyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[3-[(2-methylpropylcarbamoylamino)methyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[(isobutylcarbamoylamino)methyl]benzyl]-piperonylamide Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NCC1=CC=CC(=C1)CNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CNC(=O)NCC1=CC=CC(=C1)CNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H25N3O4/c1-14(2)10-23-21(26)24-12-16-5-3-4-15(8-16)11-22-20(25)17-6-7-18-19(9-17)28-13-27-18/h3-9,14H,10-13H2,1-2H3,(H,22,25)(H2,23,24,26)