ethyl 4-[1,3-benzodioxol-5-ylmethyl-(1,5-dimethylpyrazol-3-yl)carbonyl-amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[1,3-benzodioxol-5-ylmethyl-(1,5-dimethylpyrazol-3-yl)carbonyl-amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[1,3-benzodioxol-5-ylmethyl-(1,5-dimethylpyrazole-3-carbonyl)amino]piperidine-1-carboxylate CAS Name: 4-[1,3-benzodioxol-5-ylmethyl-[(1,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1,3-benzodioxol-5-ylmethyl-(1,5-dimethylpyrazole-3-carbonyl)amino]piperidine-1-carboxylate Traditional Name: 4-[(1,5-dimethylpyrazole-3-carbonyl)-piperonyl-amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)C(=O)C4=NN(C(=C4)C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)C(=O)C4=NN(C(=C4)C)C

InChI

InChI=1S/C22H28N4O5/c1-4-29-22(28)25-9-7-17(8-10-25)26(21(27)18-11-15(2)24(3)23-18)13-16-5-6-19-20(12-16)31-14-30-19/h5-6,11-12,17H,4,7-10,13-14H2,1-3H3