8-methoxy-N-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]-3,4-dihydro-2H-chromen-3-amine

Systemtic Name: 8-methoxy-N-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]-3,4-dihydro-2H-chromen-3-amine Openeye Name: 8-methoxy-N-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]chroman-3-amine CAS Name: 8-methoxy-N-[[4-[2-(5-pyrimidinyl)ethynyl]phenyl]methyl]-3,4-dihydro-2H-1-benzopyran-3-amine IUPAC Name: 8-methoxy-N-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]-3,4-dihydro-2H-chromen-3-amine Traditional Name: (8-methoxychroman-3-yl)-[4-[2-(5-pyrimidyl)ethynyl]benzyl]amine Formula: C23H21N3O2 MolecularWeight: 371.43174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(C2)NCC3=CC=C(C=C3)C#CC4=CN=CN=C4

Isomeric SMILES

COC1=CC=CC2=C1OCC(C2)NCC3=CC=C(C=C3)C#CC4=CN=CN=C4

InChI

InChI=1S/C23H21N3O2/c1-27-22-4-2-3-20-11-21(15-28-23(20)22)26-14-18-8-5-17(6-9-18)7-10-19-12-24-16-25-13-19/h2-6,8-9,12-13,16,21,26H,11,14-15H2,1H3