3-[(but-1-ynylamino)methyl]-N-(4-methylpent-1-yn-3-yl)-2-phenyl-2H-chromene-6-carboxamide

Systemtic Name: 3-[(but-1-ynylamino)methyl]-N-(4-methylpent-1-yn-3-yl)-2-phenyl-2H-chromene-6-carboxamide Openeye Name: 3-[(but-1-ynylamino)methyl]-N-(1-isopropylprop-2-ynyl)-2-phenyl-2H-chromene-6-carboxamide CAS Name: 3-[(but-1-ynylamino)methyl]-N-(4-methylpent-1-yn-3-yl)-2-phenyl-2H-1-benzopyran-6-carboxamide IUPAC Name: 3-[(but-1-ynylamino)methyl]-N-(4-methylpent-1-yn-3-yl)-2-phenyl-2H-chromene-6-carboxamide Traditional Name: 3-[(but-1-ynylamino)methyl]-N-(1-isopropylprop-2-ynyl)-2-phenyl-2H-chromene-6-carboxamide Formula: C27H28N2O2 MolecularWeight: 412.52342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC#CNCC1=CC2=C(C=CC(=C2)C(=O)NC(C#C)C(C)C)OC1C3=CC=CC=C3

Isomeric SMILES

CCC#CNCC1=CC2=C(C=CC(=C2)C(=O)NC(C#C)C(C)C)OC1C3=CC=CC=C3

InChI

InChI=1S/C27H28N2O2/c1-5-7-15-28-18-23-17-22-16-21(27(30)29-24(6-2)19(3)4)13-14-25(22)31-26(23)20-11-9-8-10-12-20/h2,8-14,16-17,19,24,26,28H,5,18H2,1,3-4H3,(H,29,30)