N-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-N-pentyl-adamantane-1-carboxamide

Systemtic Name: N-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-N-pentyl-adamantane-1-carboxamide Openeye Name: N-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxo-ethyl]-N-pentyl-adamantane-1-carboxamide CAS Name: N-[2-[(2,5-diphenyl-3-pyrazolyl)amino]-2-oxoethyl]-N-pentyl-1-adamantanecarboxamide IUPAC Name: N-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxoethyl]-N-pentyladamantane-1-carboxamide Traditional Name: N-amyl-N-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-keto-ethyl]adamantane-1-carboxamide Formula: C33H40N4O2 MolecularWeight: 524.6963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)NC1=CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCCN(CC(=O)NC1=CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C33H40N4O2/c1-2-3-10-15-36(32(39)33-20-24-16-25(21-33)18-26(17-24)22-33)23-31(38)34-30-19-29(27-11-6-4-7-12-27)35-37(30)28-13-8-5-9-14-28/h4-9,11-14,19,24-26H,2-3,10,15-18,20-23H2,1H3,(H,34,38)