2-(5-cyano-2,3-dihydro-1-benzofuran-3-yl)-3-ethyl-4-pyrimidin-5-yl-benzamide

Systemtic Name: 2-(5-cyano-2,3-dihydro-1-benzofuran-3-yl)-3-ethyl-4-pyrimidin-5-yl-benzamide Openeye Name: 2-(5-cyano-2,3-dihydrobenzofuran-3-yl)-3-ethyl-4-pyrimidin-5-yl-benzamide CAS Name: 2-(5-cyano-2,3-dihydrobenzofuran-3-yl)-3-ethyl-4-(5-pyrimidinyl)benzamide IUPAC Name: 2-(5-cyano-2,3-dihydro-1-benzofuran-3-yl)-3-ethyl-4-pyrimidin-5-ylbenzamide Traditional Name: 2-(5-cyanocoumaran-3-yl)-3-ethyl-4-(5-pyrimidyl)benzamide Formula: C22H18N4O2 MolecularWeight: 370.40392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1C2COC3=C2C=C(C=C3)C#N)C(=O)N)C4=CN=CN=C4

Isomeric SMILES

CCC1=C(C=CC(=C1C2COC3=C2C=C(C=C3)C#N)C(=O)N)C4=CN=CN=C4

InChI

InChI=1S/C22H18N4O2/c1-2-15-16(14-9-25-12-26-10-14)4-5-17(22(24)27)21(15)19-11-28-20-6-3-13(8-23)7-18(19)20/h3-7,9-10,12,19H,2,11H2,1H3,(H2,24,27)