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

Systemtic Name: (E)-1-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-3-(4-tert-butylphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-(4-tert-butylphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-3-(4-tert-butylphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-(4-tert-butylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-tert-butylphenyl)-1-(4-piperonyloylpiperazino)prop-2-en-1-one Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=CC(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H28N2O4/c1-25(2,3)20-8-4-18(5-9-20)6-11-23(28)26-12-14-27(15-13-26)24(29)19-7-10-21-22(16-19)31-17-30-21/h4-11,16H,12-15,17H2,1-3H3/b11-6+