N-[(3R,3aR)-7-cyano-2-oxidanylidene-3-phenyl-3a,4,5,6-tetrahydro-1-benzofuran-3-yl]benzamide

Systemtic Name: N-[(3R,3aR)-7-cyano-2-oxidanylidene-3-phenyl-3a,4,5,6-tetrahydro-1-benzofuran-3-yl]benzamide Openeye Name: N-[(3R,3aR)-7-cyano-2-oxo-3-phenyl-3a,4,5,6-tetrahydrobenzofuran-3-yl]benzamide CAS Name: N-[(3R,3aR)-7-cyano-2-oxo-3-phenyl-3a,4,5,6-tetrahydrobenzofuran-3-yl]benzamide IUPAC Name: N-[(3R,3aR)-7-cyano-2-oxo-3-phenyl-3a,4,5,6-tetrahydro-1-benzofuran-3-yl]benzamide Traditional Name: N-[(3R,3aR)-7-cyano-2-keto-3-phenyl-3a,4,5,6-tetrahydrobenzofuran-3-yl]benzamide Formula: C22H18N2O3 MolecularWeight: 358.38992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=C(C1)C#N)OC(=O)C2(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C[C@H]2C(=C(C1)C#N)OC(=O)[C@@]2(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O3/c23-14-16-10-7-13-18-19(16)27-21(26)22(18,17-11-5-2-6-12-17)24-20(25)15-8-3-1-4-9-15/h1-6,8-9,11-12,18H,7,10,13H2,(H,24,25)/t18-,22-/m0/s1