[3-[1-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]piperidin-4-yl]-4H-quinazolin-2-yl]cyanamide

Systemtic Name: [3-[1-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]piperidin-4-yl]-4H-quinazolin-2-yl]cyanamide Openeye Name: [3-[1-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]-4-piperidyl]-4H-quinazolin-2-yl]cyanamide CAS Name: [3-[1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-4-piperidinyl]-4H-quinazolin-2-yl]cyanamide IUPAC Name: [3-[1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]piperidin-4-yl]-4H-quinazolin-2-yl]cyanamide Traditional Name: [3-[1-[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]-4-piperidyl]-4H-quinazolin-2-yl]cyanamide Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CC3=CC=CC=C3N=C2NC#N)CC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1N2CC3=CC=CC=C3N=C2NC#N)CC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23N5O3/c24-14-25-23-26-19-4-2-1-3-17(19)12-28(23)18-7-9-27(10-8-18)13-20(29)16-5-6-21-22(11-16)31-15-30-21/h1-6,11,18H,7-10,12-13,15H2,(H,25,26)