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

Systemtic Name: 2-(1-adamantyl)-N,N'-bis(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanediamide Openeye Name: 2-(1-adamantyl)-N,N'-bis(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)propanediamide CAS Name: 2-(1-adamantyl)-N,N'-bis(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)propanediamide IUPAC Name: 2-(1-adamantyl)-N,N'-bis(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanediamide Traditional Name: 2-(1-adamantyl)-N,N'-bis(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)malonamide Formula: C35H40N6O4 MolecularWeight: 608.7299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C35H40N6O4/c1-21-29(33(44)40(38(21)3)26-11-7-5-8-12-26)36-31(42)28(35-18-23-15-24(19-35)17-25(16-23)20-35)32(43)37-30-22(2)39(4)41(34(30)45)27-13-9-6-10-14-27/h5-14,23-25,28H,15-20H2,1-4H3,(H,36,42)(H,37,43)