N-(1-adamantylmethyl)-2-[(2-chloranylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-2-[(2-chloranylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(1-adamantylmethyl)-2-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(1-adamantylmethyl)-2-[(2-chlorophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantylmethyl)-2-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(1-adamantylmethyl)-2-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide Formula: C22H26ClN3O2 MolecularWeight: 399.91374

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC=NN4COC5=CC=CC=C5Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC=NN4COC5=CC=CC=C5Cl

InChI

InChI=1S/C22H26ClN3O2/c23-18-3-1-2-4-20(18)28-14-26-19(5-6-25-26)21(27)24-13-22-10-15-7-16(11-22)9-17(8-15)12-22/h1-6,15-17H,7-14H2,(H,24,27)