3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-hexyl-1-methyl-pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-hexyl-1-methyl-pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-hexyl-1-methyl-pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-hexyl-1-methyl-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-hexyl-1-methylpyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-hexyl-1-methyl-pyrazole-4-carboxamide Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CCCCCCNC(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C20H27N3O3/c1-3-4-5-6-10-21-20(24)16-14-23(2)22-19(16)15-8-9-17-18(13-15)26-12-7-11-25-17/h8-9,13-14H,3-7,10-12H2,1-2H3,(H,21,24)