3-(1-adamantyl)-N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[1-[(2-chloro-4-fluoro-phenyl)methyl]pyrazol-3-yl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[1-[(2-chloro-4-fluorophenyl)methyl]-3-pyrazolyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[1-(2-chloro-4-fluoro-benzyl)pyrazol-3-yl]-1-phenyl-pyrazole-4-carboxamide Formula: C30H29ClFN5O MolecularWeight: 530.035563

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=NN(C=C5)CC6=C(C=C(C=C6)F)Cl)C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=NN(C=C5)CC6=C(C=C(C=C6)F)Cl)C7=CC=CC=C7

InChI

InChI=1S/C30H29ClFN5O/c31-26-13-23(32)7-6-22(26)17-36-9-8-27(34-36)33-29(38)25-18-37(24-4-2-1-3-5-24)35-28(25)30-14-19-10-20(15-30)12-21(11-19)16-30/h1-9,13,18-21H,10-12,14-17H2,(H,33,34,38)