5-azanyl-3-[(6-chloranylpyridin-3-yl)methylamino]-1-[4-(2,4-dichlorophenyl)-5,5-dimethyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl]pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[(6-chloranylpyridin-3-yl)methylamino]-1-[4-(2,4-dichlorophenyl)-5,5-dimethyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl]pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(6-chloro-3-pyridyl)methylamino]-1-[4-(2,4-dichlorophenyl)-5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl]pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(6-chloro-3-pyridinyl)methylamino]-1-[4-(2,4-dichlorophenyl)-5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphorinan-2-yl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(6-chloropyridin-3-yl)methylamino]-1-[4-(2,4-dichlorophenyl)-5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl]pyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(6-chloro-3-pyridyl)methylamino]-1-[4-(2,4-dichlorophenyl)-2-keto-5,5-dimethyl-1,3,2$l^{5}-dioxaphosphorinan-2-yl]pyrazole-4-carbonitrile Formula: C21H20Cl3N6O3P MolecularWeight: 541.754661

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COP(=O)(OC1C2=C(C=C(C=C2)Cl)Cl)N3C(=C(C(=N3)NCC4=CN=C(C=C4)Cl)C#N)N)C

Isomeric SMILES

CC1(COP(=O)(OC1C2=C(C=C(C=C2)Cl)Cl)N3C(=C(C(=N3)NCC4=CN=C(C=C4)Cl)C#N)N)C

InChI

InChI=1S/C21H20Cl3N6O3P/c1-21(2)11-32-34(31,33-18(21)14-5-4-13(22)7-16(14)23)30-19(26)15(8-25)20(29-30)28-10-12-3-6-17(24)27-9-12/h3-7,9,18H,10-11,26H2,1-2H3,(H,28,29)