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

Systemtic Name: N-(1-adamantyl)-2-(4-bromophenyl)-1-[(3-fluorophenyl)methyl]-3-oxidanylidene-pyrazole-4-carboxamide Openeye Name: N-(1-adamantyl)-2-(4-bromophenyl)-1-[(3-fluorophenyl)methyl]-3-oxo-pyrazole-4-carboxamide CAS Name: N-(1-adamantyl)-2-(4-bromophenyl)-1-[(3-fluorophenyl)methyl]-3-oxo-4-pyrazolecarboxamide IUPAC Name: N-(1-adamantyl)-2-(4-bromophenyl)-1-[(3-fluorophenyl)methyl]-3-oxopyrazole-4-carboxamide Traditional Name: N-(1-adamantyl)-2-(4-bromophenyl)-1-(3-fluorobenzyl)-3-keto-3-pyrazoline-4-carboxamide Formula: C27H27BrFN3O2 MolecularWeight: 524.424583

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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=C6)F

Isomeric SMILES

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

InChI

InChI=1S/C27H27BrFN3O2/c28-21-4-6-23(7-5-21)32-26(34)24(16-31(32)15-17-2-1-3-22(29)11-17)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)