2-[1-adamantylcarbamoyl(butyl)amino]-N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]ethanamide

Systemtic Name: 2-[1-adamantylcarbamoyl(butyl)amino]-N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]ethanamide Openeye Name: 2-[1-adamantylcarbamoyl(butyl)amino]-N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]acetamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]-butylamino]-N-[2-(2,4-dimethylphenyl)-5-phenyl-3-pyrazolyl]acetamide IUPAC Name: 2-[1-adamantylcarbamoyl(butyl)amino]-N-[2-(2,4-dimethylphenyl)-5-phenylpyrazol-3-yl]acetamide Traditional Name: 2-[1-adamantylcarbamoyl(butyl)amino]-N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]acetamide Formula: C34H43N5O2 MolecularWeight: 553.73752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)NC1=CC(=NN1C2=C(C=C(C=C2)C)C)C3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCN(CC(=O)NC1=CC(=NN1C2=C(C=C(C=C2)C)C)C3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C34H43N5O2/c1-4-5-13-38(33(41)36-34-19-25-15-26(20-34)17-27(16-25)21-34)22-32(40)35-31-18-29(28-9-7-6-8-10-28)37-39(31)30-12-11-23(2)14-24(30)3/h6-12,14,18,25-27H,4-5,13,15-17,19-22H2,1-3H3,(H,35,40)(H,36,41)