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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C=CC(=C2)C#N)CCNC(=O)C3=CC=C(C=C3)C4=CN=CN=C4

Isomeric SMILES

C1C(C2=C(O1)C=CC(=C2)C#N)CCNC(=O)C3=CC=C(C=C3)C4=CN=CN=C4

InChI

InChI=1S/C22H18N4O2/c23-10-15-1-6-21-20(9-15)18(13-28-21)7-8-26-22(27)17-4-2-16(3-5-17)19-11-24-14-25-12-19/h1-6,9,11-12,14,18H,7-8,13H2,(H,26,27)