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

Systemtic Name: N-(1-adamantyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(1-adamantyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(1-adamantyl)-1-[(4-phenylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(1-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)(C3)NC(=O)C4=NN(C=C4)COC5=CC=C(C=C5)C6=CC=CC=C6

Isomeric SMILES

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

InChI

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