5-azanyl-3-[(6-chloranylpyridin-3-yl)methylamino]-1-[4-(4-chlorophenyl)-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-(4-chlorophenyl)-5,5-dimethyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[4-(4-chlorophenyl)-5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl]-3-[(6-chloro-3-pyridyl)methylamino]pyrazole-4-carbonitrile CAS Name: 5-amino-1-[4-(4-chlorophenyl)-5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphorinan-2-yl]-3-[(6-chloro-3-pyridinyl)methylamino]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[4-(4-chlorophenyl)-5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl]-3-[(6-chloropyridin-3-yl)methylamino]pyrazole-4-carbonitrile Traditional Name: 5-amino-1-[4-(4-chlorophenyl)-2-keto-5,5-dimethyl-1,3,2$l^{5}-dioxaphosphorinan-2-yl]-3-[(6-chloro-3-pyridyl)methylamino]pyrazole-4-carbonitrile Formula: C21H21Cl2N6O3P MolecularWeight: 507.309601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl2N6O3P/c1-21(2)12-31-33(30,32-18(21)14-4-6-15(22)7-5-14)29-19(25)16(9-24)20(28-29)27-11-13-3-8-17(23)26-10-13/h3-8,10,18H,11-12,25H2,1-2H3,(H,27,28)