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

Systemtic Name: N-(1-adamantylmethyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(1-adamantylmethyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(1-adamantylmethyl)-1-[(4-phenylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantylmethyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(1-adamantylmethyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=NN(C=C4)COC5=CC=C(C=C5)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=NN(C=C4)COC5=CC=C(C=C5)C6=CC=CC=C6

InChI

InChI=1S/C28H31N3O2/c32-27(29-18-28-15-20-12-21(16-28)14-22(13-20)17-28)26-10-11-31(30-26)19-33-25-8-6-24(7-9-25)23-4-2-1-3-5-23/h1-11,20-22H,12-19H2,(H,29,32)