(1,3-benzodioxol-5-ylmethylamino) (2-chloranyl-1-quinazolin-2-yl-piperidin-4-yl) carbonate

Systemtic Name: (1,3-benzodioxol-5-ylmethylamino) (2-chloranyl-1-quinazolin-2-yl-piperidin-4-yl) carbonate Openeye Name: (1,3-benzodioxol-5-ylmethylamino) (2-chloro-1-quinazolin-2-yl-4-piperidyl) carbonate CAS Name: carbonic acid (1,3-benzodioxol-5-ylmethylamino) [2-chloro-1-(2-quinazolinyl)-4-piperidinyl] ester IUPAC Name: (1,3-benzodioxol-5-ylmethylamino) (2-chloro-1-quinazolin-2-ylpiperidin-4-yl) carbonate Traditional Name: carbonic acid (2-chloro-1-quinazolin-2-yl-4-piperidyl) (piperonylamino) ester Formula: C22H21ClN4O5 MolecularWeight: 456.87894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1OC(=O)ONCC2=CC3=C(C=C2)OCO3)Cl)C4=NC5=CC=CC=C5C=N4

Isomeric SMILES

C1CN(C(CC1OC(=O)ONCC2=CC3=C(C=C2)OCO3)Cl)C4=NC5=CC=CC=C5C=N4

InChI

InChI=1S/C22H21ClN4O5/c23-20-10-16(7-8-27(20)21-24-12-15-3-1-2-4-17(15)26-21)31-22(28)32-25-11-14-5-6-18-19(9-14)30-13-29-18/h1-6,9,12,16,20,25H,7-8,10-11,13H2