N-[[(2R)-7-pyrimidin-2-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methyl]but-3-enamide

Systemtic Name: N-[[(2R)-7-pyrimidin-2-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methyl]but-3-enamide Openeye Name: N-[[(2R)-7-pyrimidin-2-yl-1,2-dihydrobenzo[e]benzofuran-2-yl]methyl]but-3-enamide CAS Name: N-[[(2R)-7-(2-pyrimidinyl)-1,2-dihydrobenzo[e]benzofuran-2-yl]methyl]-3-butenamide IUPAC Name: N-[[(2R)-7-pyrimidin-2-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methyl]but-3-enamide Traditional Name: N-[[(2R)-7-(2-pyrimidyl)-1,2-dihydrobenzo[e]benzofuran-2-yl]methyl]but-3-enamide Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(=O)NCC1CC2=C(O1)C=CC3=C2C=CC(=C3)C4=NC=CC=N4

Isomeric SMILES

C=CCC(=O)NC[C@H]1CC2=C(O1)C=CC3=C2C=CC(=C3)C4=NC=CC=N4

InChI

InChI=1S/C21H19N3O2/c1-2-4-20(25)24-13-16-12-18-17-7-5-15(21-22-9-3-10-23-21)11-14(17)6-8-19(18)26-16/h2-3,5-11,16H,1,4,12-13H2,(H,24,25)/t16-/m1/s1