(E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-phenyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)C=CC3=CN(N=C3)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)/C=C/C3=CN(N=C3)C4=CC=CC=C4)OC1

InChI

InChI=1S/C21H18N2O3/c24-19(17-8-10-20-21(13-17)26-12-4-11-25-20)9-7-16-14-22-23(15-16)18-5-2-1-3-6-18/h1-3,5-10,13-15H,4,11-12H2/b9-7+