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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

InChI

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