1-(4-nitrophenyl)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]propane-1,3-diol

Systemtic Name: 1-(4-nitrophenyl)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]propane-1,3-diol Openeye Name: 1-(4-nitrophenyl)-2-[[2-(3-pyridyl)quinazolin-4-yl]amino]propane-1,3-diol CAS Name: 1-(4-nitrophenyl)-2-[[2-(3-pyridinyl)-4-quinazolinyl]amino]propane-1,3-diol IUPAC Name: 1-(4-nitrophenyl)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]propane-1,3-diol Traditional Name: 1-(4-nitrophenyl)-2-[[2-(3-pyridyl)quinazolin-4-yl]amino]propane-1,3-diol Formula: C22H19N5O4 MolecularWeight: 417.41736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NC(CO)C(C4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NC(CO)C(C4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C22H19N5O4/c28-13-19(20(29)14-7-9-16(10-8-14)27(30)31)25-22-17-5-1-2-6-18(17)24-21(26-22)15-4-3-11-23-12-15/h1-12,19-20,28-29H,13H2,(H,24,25,26)