3-[2-(1,3-benzodioxol-5-yl)ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea Openeye Name: 3-[2-(1,3-benzodioxol-5-yl)ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea CAS Name: 3-[2-(1,3-benzodioxol-5-yl)ethyl]-1-methyl-1-[(1-methyl-4-pyrazolyl)methyl]urea IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea Traditional Name: 3-homopiperonyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN(C)C(=O)NCCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN1C=C(C=N1)CN(C)C(=O)NCCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H20N4O3/c1-19(9-13-8-18-20(2)10-13)16(21)17-6-5-12-3-4-14-15(7-12)23-11-22-14/h3-4,7-8,10H,5-6,9,11H2,1-2H3,(H,17,21)