2-(4-chloranylphenoxy)-2-methyl-N-[5-(1H-pyrazol-5-yl)-2-adamantyl]propanamide

Systemtic Name: 2-(4-chloranylphenoxy)-2-methyl-N-[5-(1H-pyrazol-5-yl)-2-adamantyl]propanamide Openeye Name: 2-(4-chlorophenoxy)-2-methyl-N-[5-(1H-pyrazol-5-yl)-2-adamantyl]propanamide CAS Name: 2-(4-chlorophenoxy)-2-methyl-N-[5-(1H-pyrazol-5-yl)-2-adamantyl]propanamide IUPAC Name: 2-(4-chlorophenoxy)-2-methyl-N-[5-(1H-pyrazol-5-yl)-2-adamantyl]propanamide Traditional Name: 2-(4-chlorophenoxy)-2-methyl-N-[5-(1H-pyrazol-5-yl)-2-adamantyl]propionamide Formula: C23H28ClN3O2 MolecularWeight: 413.94032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C4=CC=NN4)OC5=CC=C(C=C5)Cl

Isomeric SMILES

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C4=CC=NN4)OC5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H28ClN3O2/c1-22(2,29-18-5-3-17(24)4-6-18)21(28)26-20-15-9-14-10-16(20)13-23(11-14,12-15)19-7-8-25-27-19/h3-8,14-16,20H,9-13H2,1-2H3,(H,25,27)(H,26,28)