ethyl 4-[[1,3-benzodioxol-5-ylmethyl-(3-pyrazol-1-ylphenyl)carbonyl-amino]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[1,3-benzodioxol-5-ylmethyl-(3-pyrazol-1-ylphenyl)carbonyl-amino]carbamoyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[1,3-benzodioxol-5-ylmethyl-(3-pyrazol-1-ylbenzoyl)amino]carbamoyl]cyclohexanecarboxylate CAS Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-2-[oxo-[3-(1-pyrazolyl)phenyl]methyl]hydrazinyl]-oxomethyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1,3-benzodioxol-5-ylmethyl-(3-pyrazol-1-ylbenzoyl)amino]carbamoyl]cyclohexane-1-carboxylate Traditional Name: 4-[[piperonyl-(3-pyrazol-1-ylbenzoyl)amino]carbamoyl]cyclohexanecarboxylic acid ethyl ester Formula: C28H30N4O6 MolecularWeight: 518.561

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)C(=O)NN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)N5C=CC=N5

Isomeric SMILES

CCOC(=O)C1CCC(CC1)C(=O)NN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)N5C=CC=N5

InChI

InChI=1S/C28H30N4O6/c1-2-36-28(35)21-10-8-20(9-11-21)26(33)30-32(17-19-7-12-24-25(15-19)38-18-37-24)27(34)22-5-3-6-23(16-22)31-14-4-13-29-31/h3-7,12-16,20-21H,2,8-11,17-18H2,1H3,(H,30,33)