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

Systemtic Name: methyl 2-[[4-(1-adamantylcarbamoylamino)-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 2-[[4-(1-adamantylcarbamoylamino)-3,5-dimethyl-pyrazol-1-yl]methyl]benzoate CAS Name: 2-[[4-[[(1-adamantylamino)-oxomethyl]amino]-3,5-dimethyl-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(1-adamantylcarbamoylamino)-3,5-dimethylpyrazol-1-yl]methyl]benzoate Traditional Name: 2-[[4-(1-adamantylcarbamoylamino)-3,5-dimethyl-pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2C(=O)OC)C)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2C(=O)OC)C)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H32N4O3/c1-15-22(16(2)29(28-15)14-20-6-4-5-7-21(20)23(30)32-3)26-24(31)27-25-11-17-8-18(12-25)10-19(9-17)13-25/h4-7,17-19H,8-14H2,1-3H3,(H2,26,27,31)