(1S)-N2-[(7-ethynylnaphthalen-1-yl)methyl]-N1-(pyridin-3-ylmethyl)-1,3-dihydroisoindole-1,2-dicarboxamide

Systemtic Name: (1S)-N2-[(7-ethynylnaphthalen-1-yl)methyl]-N1-(pyridin-3-ylmethyl)-1,3-dihydroisoindole-1,2-dicarboxamide Openeye Name: (1S)-N2-[(7-ethynyl-1-naphthyl)methyl]-N1-(3-pyridylmethyl)isoindoline-1,2-dicarboxamide CAS Name: (1S)-N2-[(7-ethynyl-1-naphthalenyl)methyl]-N1-(3-pyridinylmethyl)-1,3-dihydroisoindole-1,2-dicarboxamide IUPAC Name: (1S)-2-N-[(7-ethynylnaphthalen-1-yl)methyl]-1-N-(pyridin-3-ylmethyl)-1,3-dihydroisoindole-1,2-dicarboxamide Traditional Name: (1S)-N'-[(7-ethynyl-1-naphthyl)methyl]-N-(3-pyridylmethyl)isoindoline-1,2-dicarboxamide Formula: C29H24N4O2 MolecularWeight: 460.52646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(C=CC=C2CNC(=O)N3CC4=CC=CC=C4C3C(=O)NCC5=CN=CC=C5)C=C1

Isomeric SMILES

C#CC1=CC2=C(C=CC=C2CNC(=O)N3CC4=CC=CC=C4[C@H]3C(=O)NCC5=CN=CC=C5)C=C1

InChI

InChI=1S/C29H24N4O2/c1-2-20-12-13-22-9-5-10-23(26(22)15-20)18-32-29(35)33-19-24-8-3-4-11-25(24)27(33)28(34)31-17-21-7-6-14-30-16-21/h1,3-16,27H,17-19H2,(H,31,34)(H,32,35)/t27-/m0/s1