(E)-3-(1,3-benzodioxol-5-yl)-1-[4-(phenylcarbonyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(phenylcarbonyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(4-benzoylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(4-benzoyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(4-benzoylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(4-benzoylpiperazino)prop-2-en-1-one Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O4/c24-20(9-7-16-6-8-18-19(14-16)27-15-26-18)22-10-12-23(13-11-22)21(25)17-4-2-1-3-5-17/h1-9,14H,10-13,15H2/b9-7+