N-(2,3-dimethyl-5-oxidanyl-1-phenyl-3H-pyrazol-4-yl)-N'-[phenyl(piperidin-1-yl)methyl]ethanimidamide; nickel

Systemtic Name: N-(2,3-dimethyl-5-oxidanyl-1-phenyl-3H-pyrazol-4-yl)-N'-[phenyl(piperidin-1-yl)methyl]ethanimidamide; nickel Openeye Name: N-(5-hydroxy-2,3-dimethyl-1-phenyl-3H-pyrazol-4-yl)-N'-[phenyl(1-piperidyl)methyl]acetamidine; nickel CAS Name: N-(5-hydroxy-2,3-dimethyl-1-phenyl-3H-pyrazol-4-yl)-N'-[phenyl(1-piperidinyl)methyl]ethanimidamide; nickel IUPAC Name: N-(5-hydroxy-2,3-dimethyl-1-phenyl-3H-pyrazol-4-yl)-N'-[phenyl(piperidin-1-yl)methyl]ethanimidamide; nickel Traditional Name: N-(3-hydroxy-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-N'-[phenyl(piperidino)methyl]acetamidine; nickel Formula: C50H66N10NiO2 MolecularWeight: 897.81824

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(N(N1C)C2=CC=CC=C2)O)NC(=NC(C3=CC=CC=C3)N4CCCCC4)C.CC1C(=C(N(N1C)C2=CC=CC=C2)O)NC(=NC(C3=CC=CC=C3)N4CCCCC4)C.[Ni]

Isomeric SMILES

CC1N(N(C(=C1N/C(=N/C(N2CCCCC2)C3=CC=CC=C3)/C)O)C4=CC=CC=C4)C.CC1N(N(C(=C1N/C(=N/C(N2CCCCC2)C3=CC=CC=C3)/C)O)C4=CC=CC=C4)C.[Ni]

InChI

InChI=1S/2C25H33N5O.Ni/c2*1-19-23(25(31)30(28(19)3)22-15-9-5-10-16-22)26-20(2)27-24(21-13-7-4-8-14-21)29-17-11-6-12-18-29;/h2*4-5,7-10,13-16,19,24,31H,6,11-12,17-18H2,1-3H3,(H,26,27);