4-oxidanylidene-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3-propyl-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3-propyl-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3-propyl-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3-propyl-1-phthalazinecarboxamide IUPAC Name: 4-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3-propyl-phthalazine-1-carboxamide Formula: C22H22F3N3O3 MolecularWeight: 433.42359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)OCCC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)OCCC

InChI

InChI=1S/C22H22F3N3O3/c1-3-11-28-21(30)16-8-6-5-7-15(16)19(27-28)20(29)26-17-13-14(22(23,24)25)9-10-18(17)31-12-4-2/h5-10,13H,3-4,11-12H2,1-2H3,(H,26,29)