N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloranylquinoxalin-2-yl)-2-cyano-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloranylquinoxalin-2-yl)-2-cyano-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloroquinoxalin-2-yl)-2-cyano-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloro-2-quinoxalinyl)-2-cyanoacetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloroquinoxalin-2-yl)-2-cyanoacetamide Traditional Name: 2-(3-chloroquinoxalin-2-yl)-2-cyano-N-piperonyl-acetamide Formula: C19H13ClN4O3 MolecularWeight: 380.78452

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(C#N)C3=NC4=CC=CC=C4N=C3Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(C#N)C3=NC4=CC=CC=C4N=C3Cl

InChI

InChI=1S/C19H13ClN4O3/c20-18-17(23-13-3-1-2-4-14(13)24-18)12(8-21)19(25)22-9-11-5-6-15-16(7-11)27-10-26-15/h1-7,12H,9-10H2,(H,22,25)