N-(1-adamantyl)-2-(4-chlorophenyl)-3-oxidanylidene-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-(1-adamantyl)-2-(4-chlorophenyl)-3-oxidanylidene-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: N-(1-adamantyl)-1-benzyl-2-(4-chlorophenyl)-3-oxo-pyrazole-4-carboxamide CAS Name: N-(1-adamantyl)-2-(4-chlorophenyl)-3-oxo-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-(1-adamantyl)-1-benzyl-2-(4-chlorophenyl)-3-oxopyrazole-4-carboxamide Traditional Name: N-(1-adamantyl)-1-benzyl-2-(4-chlorophenyl)-3-keto-3-pyrazoline-4-carboxamide Formula: C27H28ClN3O2 MolecularWeight: 461.98312

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CN(N(C4=O)C5=CC=C(C=C5)Cl)CC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CN(N(C4=O)C5=CC=C(C=C5)Cl)CC6=CC=CC=C6

InChI

InChI=1S/C27H28ClN3O2/c28-22-6-8-23(9-7-22)31-26(33)24(17-30(31)16-18-4-2-1-3-5-18)25(32)29-27-13-19-10-20(14-27)12-21(11-19)15-27/h1-9,17,19-21H,10-16H2,(H,29,32)