3-[(E)-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]ethenyl]-1H-quinoxalin-2-one

Systemtic Name: 3-[(E)-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]ethenyl]-1H-quinoxalin-2-one Openeye Name: 3-[(E)-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]vinyl]-1H-quinoxalin-2-one CAS Name: 3-[(E)-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]ethenyl]-1H-quinoxalin-2-one IUPAC Name: 3-[(E)-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]ethenyl]-1H-quinoxalin-2-one Traditional Name: 3-[(E)-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]vinyl]-1H-quinoxalin-2-one Formula: C23H20N4O3 MolecularWeight: 400.4299

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C=CC4=NC5=CC=CC=C5NC4=O

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)/C=C/C4=NC5=CC=CC=C5NC4=O

InChI

InChI=1S/C23H20N4O3/c1-27-14-16(7-9-19-23(28)25-18-6-3-2-5-17(18)24-19)22(26-27)15-8-10-20-21(13-15)30-12-4-11-29-20/h2-3,5-10,13-14H,4,11-12H2,1H3,(H,25,28)/b9-7+