4-(4-methylphenyl)-2-[[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]methyl]phthalazin-1-one

Systemtic Name: 4-(4-methylphenyl)-2-[[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]methyl]phthalazin-1-one Openeye Name: 4-(p-tolyl)-2-[[4-[(E)-3-(2-thienyl)prop-2-enoyl]piperazin-1-yl]methyl]phthalazin-1-one CAS Name: 4-(4-methylphenyl)-2-[[4-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 4-(4-methylphenyl)-2-[[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 4-(p-tolyl)-2-[[4-[(E)-3-(2-thienyl)acryloyl]piperazino]methyl]phthalazin-1-one Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN4CCN(CC4)C(=O)C=CC5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN4CCN(CC4)C(=O)/C=C/C5=CC=CS5

InChI

InChI=1S/C27H26N4O2S/c1-20-8-10-21(11-9-20)26-23-6-2-3-7-24(23)27(33)31(28-26)19-29-14-16-30(17-15-29)25(32)13-12-22-5-4-18-34-22/h2-13,18H,14-17,19H2,1H3/b13-12+