N-(1-adamantyl)-2-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]-3-oxidanylidene-pyrazole-4-carboxamide

Systemtic Name: N-(1-adamantyl)-2-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]-3-oxidanylidene-pyrazole-4-carboxamide Openeye Name: N-(1-adamantyl)-2-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]-3-oxo-pyrazole-4-carboxamide CAS Name: N-(1-adamantyl)-2-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]-3-oxo-4-pyrazolecarboxamide IUPAC Name: N-(1-adamantyl)-2-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]-3-oxopyrazole-4-carboxamide Traditional Name: N-(1-adamantyl)-2-(4-bromophenyl)-1-(2-chlorobenzyl)-3-keto-3-pyrazoline-4-carboxamide Formula: C27H27BrClN3O2 MolecularWeight: 540.87918

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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)Br)CC6=CC=CC=C6Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CN(N(C4=O)C5=CC=C(C=C5)Br)CC6=CC=CC=C6Cl

InChI

InChI=1S/C27H27BrClN3O2/c28-21-5-7-22(8-6-21)32-26(34)23(16-31(32)15-20-3-1-2-4-24(20)29)25(33)30-27-12-17-9-18(13-27)11-19(10-17)14-27/h1-8,16-19H,9-15H2,(H,30,33)