[3-[1-[2-(3H-1,2-benzodioxol-6-yl)-2-oxidanyl-ethyl]piperidin-4-yl]-4H-quinazolin-2-yl]cyanamide

Systemtic Name: [3-[1-[2-(3H-1,2-benzodioxol-6-yl)-2-oxidanyl-ethyl]piperidin-4-yl]-4H-quinazolin-2-yl]cyanamide Openeye Name: [3-[1-[2-(3H-1,2-benzodioxol-6-yl)-2-hydroxy-ethyl]-4-piperidyl]-4H-quinazolin-2-yl]cyanamide CAS Name: [3-[1-[2-(3H-1,2-benzodioxol-6-yl)-2-hydroxyethyl]-4-piperidinyl]-4H-quinazolin-2-yl]cyanamide IUPAC Name: [3-[1-[2-(3H-1,2-benzodioxol-6-yl)-2-hydroxyethyl]piperidin-4-yl]-4H-quinazolin-2-yl]cyanamide Traditional Name: [3-[1-[2-(3H-1,2-benzodioxol-6-yl)-2-hydroxy-ethyl]-4-piperidyl]-4H-quinazolin-2-yl]cyanamide Formula: C23H25N5O3 MolecularWeight: 419.4763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CC3=CC=CC=C3N=C2NC#N)CC(C4=CC5=C(COO5)C=C4)O

Isomeric SMILES

C1CN(CCC1N2CC3=CC=CC=C3N=C2NC#N)CC(C4=CC5=C(COO5)C=C4)O

InChI

InChI=1S/C23H25N5O3/c24-15-25-23-26-20-4-2-1-3-17(20)12-28(23)19-7-9-27(10-8-19)13-21(29)16-5-6-18-14-30-31-22(18)11-16/h1-6,11,19,21,29H,7-10,12-14H2,(H,25,26)