1-[(3R)-3-(1,3-benzodioxol-5-ylcarbonyl)piperidin-1-yl]-2-quinazolin-4-yloxy-ethanone

Systemtic Name: 1-[(3R)-3-(1,3-benzodioxol-5-ylcarbonyl)piperidin-1-yl]-2-quinazolin-4-yloxy-ethanone Openeye Name: 1-[(3R)-3-(1,3-benzodioxole-5-carbonyl)-1-piperidyl]-2-quinazolin-4-yloxy-ethanone CAS Name: 1-[(3R)-3-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperidinyl]-2-(4-quinazolinyloxy)ethanone IUPAC Name: 1-[(3R)-3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone Traditional Name: 1-[(3R)-3-piperonyloylpiperidino]-2-quinazolin-4-yloxy-ethanone Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC2=NC=NC3=CC=CC=C32)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)COC2=NC=NC3=CC=CC=C32)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H21N3O5/c27-21(12-29-23-17-5-1-2-6-18(17)24-13-25-23)26-9-3-4-16(11-26)22(28)15-7-8-19-20(10-15)31-14-30-19/h1-2,5-8,10,13,16H,3-4,9,11-12,14H2/t16-/m1/s1