tert-butyl N-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]-N-pyridin-3-ylcarbonyl-carbamate

Systemtic Name: tert-butyl N-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]-N-pyridin-3-ylcarbonyl-carbamate Openeye Name: tert-butyl N-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]-N-(pyridine-3-carbonyl)carbamate CAS Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]-N-[oxo(3-pyridinyl)methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(1,3-benzodioxol-5-ylmethylamino)propyl]-N-(pyridine-3-carbonyl)carbamate Traditional Name: N-nicotinoyl-N-[3-(piperonylamino)propyl]carbamic acid tert-butyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCNCC1=CC2=C(C=C1)OCO2)C(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCNCC1=CC2=C(C=C1)OCO2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H27N3O5/c1-22(2,3)30-21(27)25(20(26)17-6-4-9-24-14-17)11-5-10-23-13-16-7-8-18-19(12-16)29-15-28-18/h4,6-9,12,14,23H,5,10-11,13,15H2,1-3H3