(2R)-4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[2-keto-2-(piperonylamino)ethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCNC(=O)[C@H]1CN(C2=CC=CC=C2O1)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O5/c1-2-9-23-22(27)20-12-25(16-5-3-4-6-17(16)30-20)13-21(26)24-11-15-7-8-18-19(10-15)29-14-28-18/h3-8,10,20H,2,9,11-14H2,1H3,(H,23,27)(H,24,26)/t20-/m1/s1