azocan-1-yl-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]methanone

Systemtic Name: azocan-1-yl-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]methanone Openeye Name: azocan-1-yl-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]methanone CAS Name: 1-azocanyl-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]methanone IUPAC Name: azocan-1-yl-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]methanone Traditional Name: azocan-1-yl-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]methanone Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)N4CCCCCCC4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)N4CCCCCCC4

InChI

InChI=1S/C21H27N3O3/c1-23-15-17(21(25)24-10-5-3-2-4-6-11-24)20(22-23)16-8-9-18-19(14-16)27-13-7-12-26-18/h8-9,14-15H,2-7,10-13H2,1H3