N-[4-(1,3-benzodioxol-5-yl)-3-cyano-7-(dimethylamino)-4H-chromen-2-yl]propanamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-3-cyano-7-(dimethylamino)-4H-chromen-2-yl]propanamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)-3-cyano-7-(dimethylamino)-4H-chromen-2-yl]propanamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-3-cyano-7-(dimethylamino)-4H-1-benzopyran-2-yl]propanamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-3-cyano-7-(dimethylamino)-4H-chromen-2-yl]propanamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)-3-cyano-7-(dimethylamino)-4H-chromen-2-yl]propionamide Formula: C22H21N3O4 MolecularWeight: 391.41984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(C2=C(O1)C=C(C=C2)N(C)C)C3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CCC(=O)NC1=C(C(C2=C(O1)C=C(C=C2)N(C)C)C3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C22H21N3O4/c1-4-20(26)24-22-16(11-23)21(13-5-8-17-19(9-13)28-12-27-17)15-7-6-14(25(2)3)10-18(15)29-22/h5-10,21H,4,12H2,1-3H3,(H,24,26)