[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C25H30N4O4/c1-15-7-16(2)29(28-15)21-5-3-20(4-6-21)23(31)33-14-22(30)26-24(32)27-25-11-17-8-18(12-25)10-19(9-17)13-25/h3-7,17-19H,8-14H2,1-2H3,(H2,26,27,30,32)