methyl 3-[(1-adamantylcarbonylamino)methyl]-5-(2-pyrazol-1-ylethanoylamino)benzoate

Systemtic Name: methyl 3-[(1-adamantylcarbonylamino)methyl]-5-(2-pyrazol-1-ylethanoylamino)benzoate Openeye Name: methyl 3-[(adamantane-1-carbonylamino)methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate CAS Name: 3-[[[1-adamantyl(oxo)methyl]amino]methyl]-5-[[1-oxo-2-(1-pyrazolyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(adamantane-1-carbonylamino)methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate Traditional Name: 3-[(adamantane-1-carbonylamino)methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoic acid methyl ester Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C=CC=N2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2C=CC=N2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H30N4O4/c1-33-23(31)20-8-19(9-21(10-20)28-22(30)15-29-4-2-3-27-29)14-26-24(32)25-11-16-5-17(12-25)7-18(6-16)13-25/h2-4,8-10,16-18H,5-7,11-15H2,1H3,(H,26,32)(H,28,30)