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

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoate CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)benzoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C25H29ClN4O4 MolecularWeight: 484.97516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN4O4/c1-14-22(26)15(2)30(29-14)20-5-3-19(4-6-20)23(32)34-13-21(31)27-24(33)28-25-10-16-7-17(11-25)9-18(8-16)12-25/h3-6,16-18H,7-13H2,1-2H3,(H2,27,28,31,33)