5-azanyl-3-[(6-chloranylpyridin-3-yl)methylamino]-1-[5,5-dimethyl-4-(4-methylphenyl)-2-oxidanylidene-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-4-(4-methylphenyl)-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl]pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(6-chloro-3-pyridyl)methylamino]-1-[5,5-dimethyl-2-oxo-4-(p-tolyl)-1,3,2$l^{5}-dioxaphosphinan-2-yl]pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(6-chloro-3-pyridinyl)methylamino]-1-[5,5-dimethyl-4-(4-methylphenyl)-2-oxo-1,3,2$l^{5}-dioxaphosphorinan-2-yl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(6-chloropyridin-3-yl)methylamino]-1-[5,5-dimethyl-4-(4-methylphenyl)-2-oxo-1,3,2$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-(p-tolyl)-1,3,2$l^{5}-dioxaphosphorinan-2-yl]pyrazole-4-carbonitrile Formula: C22H24ClN6O3P MolecularWeight: 486.891121

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(COP(=O)(O2)N3C(=C(C(=N3)NCC4=CN=C(C=C4)Cl)C#N)N)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2C(COP(=O)(O2)N3C(=C(C(=N3)NCC4=CN=C(C=C4)Cl)C#N)N)(C)C

InChI

InChI=1S/C22H24ClN6O3P/c1-14-4-7-16(8-5-14)19-22(2,3)13-31-33(30,32-19)29-20(25)17(10-24)21(28-29)27-12-15-6-9-18(23)26-11-15/h4-9,11,19H,12-13,25H2,1-3H3,(H,27,28)