N-[[(2R)-7-pyrimidin-2-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methyl]pent-4-enamide

Systemtic Name: N-[[(2R)-7-pyrimidin-2-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methyl]pent-4-enamide Openeye Name: N-[[(2R)-7-pyrimidin-2-yl-1,2-dihydrobenzo[e]benzofuran-2-yl]methyl]pent-4-enamide CAS Name: N-[[(2R)-7-(2-pyrimidinyl)-1,2-dihydrobenzo[e]benzofuran-2-yl]methyl]-4-pentenamide IUPAC Name: N-[[(2R)-7-pyrimidin-2-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methyl]pent-4-enamide Traditional Name: N-[[(2R)-7-(2-pyrimidyl)-1,2-dihydrobenzo[e]benzofuran-2-yl]methyl]pent-4-enamide Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O2/c1-2-3-5-21(26)25-14-17-13-19-18-8-6-16(22-23-10-4-11-24-22)12-15(18)7-9-20(19)27-17/h2,4,6-12,17H,1,3,5,13-14H2,(H,25,26)/t17-/m1/s1