N-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]ethyl]-3-isopropyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]ethyl]-3-isopropyl-4-keto-phthalazine-1-carboxamide Formula: C20H19ClF3N5O2 MolecularWeight: 453.84537

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCNC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCNC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C20H19ClF3N5O2/c1-11(2)29-19(31)14-6-4-3-5-13(14)16(28-29)18(30)26-8-7-25-17-15(21)9-12(10-27-17)20(22,23)24/h3-6,9-11H,7-8H2,1-2H3,(H,25,27)(H,26,30)