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

Systemtic Name: tert-butyl N-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]-N-(2,5-dimethylpyrazol-3-yl)carbonyl-carbamate Openeye Name: tert-butyl N-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]-N-(2,5-dimethylpyrazole-3-carbonyl)carbamate CAS Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]-N-[(2,5-dimethyl-3-pyrazolyl)-oxomethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]-N-(2,5-dimethylpyrazole-3-carbonyl)carbamate Traditional Name: N-(2,5-dimethylpyrazole-3-carbonyl)-N-[3-(piperonylamino)propyl]carbamic acid tert-butyl ester Formula: C22H30N4O5 MolecularWeight: 430.4974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N(CCCNCC2=CC3=C(C=C2)OCO3)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N(CCCNCC2=CC3=C(C=C2)OCO3)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C22H30N4O5/c1-15-11-17(25(5)24-15)20(27)26(21(28)31-22(2,3)4)10-6-9-23-13-16-7-8-18-19(12-16)30-14-29-18/h7-8,11-12,23H,6,9-10,13-14H2,1-5H3