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

Systemtic Name: N-(1-adamantyl)-2-(2,4-dichlorophenyl)-3-oxidanylidene-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: N-(1-adamantyl)-1-benzyl-2-(2,4-dichlorophenyl)-3-oxo-pyrazole-4-carboxamide CAS Name: N-(1-adamantyl)-2-(2,4-dichlorophenyl)-3-oxo-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-(1-adamantyl)-1-benzyl-2-(2,4-dichlorophenyl)-3-oxopyrazole-4-carboxamide Traditional Name: N-(1-adamantyl)-1-benzyl-2-(2,4-dichlorophenyl)-3-keto-3-pyrazoline-4-carboxamide Formula: C27H27Cl2N3O2 MolecularWeight: 496.42818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27Cl2N3O2/c28-21-6-7-24(23(29)11-21)32-26(34)22(16-31(32)15-17-4-2-1-3-5-17)25(33)30-27-12-18-8-19(13-27)10-20(9-18)14-27/h1-7,11,16,18-20H,8-10,12-15H2,(H,30,33)