N'-[(E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]adamantane-1-carbohydrazide

Systemtic Name: N'-[(E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]adamantane-1-carbohydrazide Openeye Name: N'-[(E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]adamantane-1-carbohydrazide CAS Name: N'-[(E)-3-[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]-1-oxoprop-2-enyl]-1-adamantanecarbohydrazide IUPAC Name: N'-[(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]adamantane-1-carbohydrazide Traditional Name: N'-[(E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]acryloyl]adamantane-1-carbohydrazide Formula: C29H29FN4O2 MolecularWeight: 484.564563

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)C=CC4=CN(N=C4C5=CC=C(C=C5)F)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)/C=C/C4=CN(N=C4C5=CC=C(C=C5)F)C6=CC=CC=C6

InChI

InChI=1S/C29H29FN4O2/c30-24-9-6-22(7-10-24)27-23(18-34(33-27)25-4-2-1-3-5-25)8-11-26(35)31-32-28(36)29-15-19-12-20(16-29)14-21(13-19)17-29/h1-11,18-21H,12-17H2,(H,31,35)(H,32,36)/b11-8+