ethyl 1-[3-[3-(1-adamantylcarbonylamino)propanoylamino]phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[3-[3-(1-adamantylcarbonylamino)propanoylamino]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[3-[3-(adamantane-1-carbonylamino)propanoylamino]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[3-[[3-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]amino]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[3-(adamantane-1-carbonylamino)propanoylamino]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[3-[3-(adamantane-1-carbonylamino)propanoylamino]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C27H34N4O4/c1-3-35-25(33)23-16-29-31(17(23)2)22-6-4-5-21(12-22)30-24(32)7-8-28-26(34)27-13-18-9-19(14-27)11-20(10-18)15-27/h4-6,12,16,18-20H,3,7-11,13-15H2,1-2H3,(H,28,34)(H,30,32)