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

Systemtic Name: ethyl 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]nipecotic acid ethyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C22H27N3O5/c1-3-28-22(27)16-6-4-9-25(13-16)21(26)17-14-24(2)23-20(17)15-7-8-18-19(12-15)30-11-5-10-29-18/h7-8,12,14,16H,3-6,9-11,13H2,1-2H3