N-(2-adamantyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(2-adamantyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(2-adamantyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(2-adamantyl)-1-[(4-phenylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2-adamantyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(2-adamantyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C4=NN(C=C4)COC5=CC=C(C=C5)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)C4=NN(C=C4)COC5=CC=C(C=C5)C6=CC=CC=C6

InChI

InChI=1S/C27H29N3O2/c31-27(28-26-22-13-18-12-19(15-22)16-23(26)14-18)25-10-11-30(29-25)17-32-24-8-6-21(7-9-24)20-4-2-1-3-5-20/h1-11,18-19,22-23,26H,12-17H2,(H,28,31)