2-[[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[[1-[3-(2-thienyl)prop-2-enoyl]-4-piperidyl]methyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[[1-(1-oxo-3-thiophen-2-ylprop-2-enyl)-4-piperidinyl]methyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[[1-[3-(2-thienyl)acryloyl]-4-piperidyl]methyl]benzo[de]isoquinoline-1,3-quinone Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C=CC5=CC=CS5

Isomeric SMILES

C1CN(CCC1CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C=CC5=CC=CS5

InChI

InChI=1S/C25H22N2O3S/c28-22(10-9-19-6-3-15-31-19)26-13-11-17(12-14-26)16-27-24(29)20-7-1-4-18-5-2-8-21(23(18)20)25(27)30/h1-10,15,17H,11-14,16H2