3-(1-adamantyl)-N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[1-(2-chloro-6-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=CC=C6Cl)F)C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=NN(C=C5)CC6=C(C=CC=C6Cl)F)C7=CC=CC=C7

InChI

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