2-(1-adamantyl)-N,N'-bis(3-methyl-5-oxidanylidene-1,2-diphenyl-pyrazol-4-yl)propanediamide

Systemtic Name: 2-(1-adamantyl)-N,N'-bis(3-methyl-5-oxidanylidene-1,2-diphenyl-pyrazol-4-yl)propanediamide Openeye Name: 2-(1-adamantyl)-N,N'-bis(3-methyl-5-oxo-1,2-diphenyl-pyrazol-4-yl)propanediamide CAS Name: 2-(1-adamantyl)-N,N'-bis(3-methyl-5-oxo-1,2-diphenyl-4-pyrazolyl)propanediamide IUPAC Name: 2-(1-adamantyl)-N,N'-bis(3-methyl-5-oxo-1,2-diphenylpyrazol-4-yl)propanediamide Traditional Name: 2-(1-adamantyl)-N,N'-bis(3-keto-5-methyl-1,2-diphenyl-3-pyrazolin-4-yl)malonamide Formula: C45H44N6O4 MolecularWeight: 732.86866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C(C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C6=CC=CC=C6)C)C78CC9CC(C7)CC(C9)C8

Isomeric SMILES

CC1=C(C(=O)N(N1C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C(C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C6=CC=CC=C6)C)C78CC9CC(C7)CC(C9)C8

InChI

InChI=1S/C45H44N6O4/c1-29-39(43(54)50(36-19-11-5-12-20-36)48(29)34-15-7-3-8-16-34)46-41(52)38(45-26-31-23-32(27-45)25-33(24-31)28-45)42(53)47-40-30(2)49(35-17-9-4-10-18-35)51(44(40)55)37-21-13-6-14-22-37/h3-22,31-33,38H,23-28H2,1-2H3,(H,46,52)(H,47,53)