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

Systemtic Name: 5-azanyl-3-[(6-chloranylpyridin-3-yl)methylamino]-1-(5,5-dimethyl-2-oxidanylidene-4-phenyl-1,3,2$l^{5}-dioxaphosphinan-2-yl)pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(6-chloro-3-pyridyl)methylamino]-1-(5,5-dimethyl-2-oxo-4-phenyl-1,3,2$l^{5}-dioxaphosphinan-2-yl)pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(6-chloro-3-pyridinyl)methylamino]-1-(5,5-dimethyl-2-oxo-4-phenyl-1,3,2$l^{5}-dioxaphosphorinan-2-yl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(6-chloropyridin-3-yl)methylamino]-1-(5,5-dimethyl-2-oxo-4-phenyl-1,3,2$l^{5}-dioxaphosphinan-2-yl)pyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(6-chloro-3-pyridyl)methylamino]-1-(2-keto-5,5-dimethyl-4-phenyl-1,3,2$l^{5}-dioxaphosphorinan-2-yl)pyrazole-4-carbonitrile Formula: C21H22ClN6O3P MolecularWeight: 472.864541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN6O3P/c1-21(2)13-30-32(29,31-18(21)15-6-4-3-5-7-15)28-19(24)16(10-23)20(27-28)26-12-14-8-9-17(22)25-11-14/h3-9,11,18H,12-13,24H2,1-2H3,(H,26,27)