[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)C4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)C4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C23H26N4O4/c28-20(14-31-21(29)18-2-4-19(5-3-18)27-7-1-6-24-27)25-22(30)26-23-11-15-8-16(12-23)10-17(9-15)13-23/h1-7,15-17H,8-14H2,(H2,25,26,28,30)