tert-butyl N-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]-N-(2-ethyl-5-methyl-pyrazol-3-yl)carbonyl-carbamate

Systemtic Name: tert-butyl N-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]-N-(2-ethyl-5-methyl-pyrazol-3-yl)carbonyl-carbamate Openeye Name: tert-butyl N-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]-N-(2-ethyl-5-methyl-pyrazole-3-carbonyl)carbamate CAS Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]-N-[(2-ethyl-5-methyl-3-pyrazolyl)-oxomethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]-N-(2-ethyl-5-methylpyrazole-3-carbonyl)carbamate Traditional Name: N-(2-ethyl-5-methyl-pyrazole-3-carbonyl)-N-[3-(piperonylamino)propyl]carbamic acid tert-butyl ester Formula: C23H32N4O5 MolecularWeight: 444.52398

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C)C(=O)N(CCCNCC2=CC3=C(C=C2)OCO3)C(=O)OC(C)(C)C

Isomeric SMILES

CCN1C(=CC(=N1)C)C(=O)N(CCCNCC2=CC3=C(C=C2)OCO3)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H32N4O5/c1-6-27-18(12-16(2)25-27)21(28)26(22(29)32-23(3,4)5)11-7-10-24-14-17-8-9-19-20(13-17)31-15-30-19/h8-9,12-13,24H,6-7,10-11,14-15H2,1-5H3