1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-N-phenylmethoxy-methanimine

Systemtic Name: 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-N-phenylmethoxy-methanimine Openeye Name: N-benzyloxy-1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]methanimine CAS Name: 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-N-phenylmethoxymethanimine IUPAC Name: 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]-N-phenylmethoxymethanimine Traditional Name: (E)-benzoxy-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]methylene]amine Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C=NOCC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)/C=N/OCC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3/c1-24-14-18(13-22-27-15-16-6-3-2-4-7-16)21(23-24)17-8-9-19-20(12-17)26-11-5-10-25-19/h2-4,6-9,12-14H,5,10-11,15H2,1H3/b22-13+