2-[[3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]-N-phenethyl-benzamide

Systemtic Name: 2-[[3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]-N-phenethyl-benzamide Openeye Name: 2-[[3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]-N-phenethyl-benzamide CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-2-cyano-1-oxoprop-2-enyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[[3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoyl]amino]-N-phenethylbenzamide Traditional Name: 2-[[3-(1,3-benzodioxol-5-yl)-2-cyano-acryloyl]amino]-N-phenethyl-benzamide Formula: C26H21N3O4 MolecularWeight: 439.46264

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H21N3O4/c27-16-20(14-19-10-11-23-24(15-19)33-17-32-23)25(30)29-22-9-5-4-8-21(22)26(31)28-13-12-18-6-2-1-3-7-18/h1-11,14-15H,12-13,17H2,(H,28,31)(H,29,30)