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

Systemtic Name: N'-(1-adamantyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)pentanediamide Openeye Name: N'-(1-adamantyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)pentanediamide CAS Name: N'-(1-adamantyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)pentanediamide IUPAC Name: N'-(1-adamantyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pentanediamide Traditional Name: N'-(1-adamantyl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)glutaramide Formula: C26H34N4O3 MolecularWeight: 450.57316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H34N4O3/c1-17-24(25(33)30(29(17)2)21-7-4-3-5-8-21)27-22(31)9-6-10-23(32)28-26-14-18-11-19(15-26)13-20(12-18)16-26/h3-5,7-8,18-20H,6,9-16H2,1-2H3,(H,27,31)(H,28,32)