ethyl 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]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)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C

InChI

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