2-[1-[(E)-3-(2-phenoxyphenyl)prop-2-enyl]piperidin-4-yl]-3H-isoindol-1-one

Systemtic Name: 2-[1-[(E)-3-(2-phenoxyphenyl)prop-2-enyl]piperidin-4-yl]-3H-isoindol-1-one Openeye Name: 2-[1-[(E)-3-(2-phenoxyphenyl)allyl]-4-piperidyl]isoindolin-1-one CAS Name: 2-[1-[(E)-3-(2-phenoxyphenyl)prop-2-enyl]-4-piperidinyl]-3H-isoindol-1-one IUPAC Name: 2-[1-[(E)-3-(2-phenoxyphenyl)prop-2-enyl]piperidin-4-yl]-3H-isoindol-1-one Traditional Name: 2-[1-[(E)-3-(2-phenoxyphenyl)allyl]-4-piperidyl]isoindolin-1-one Formula: C28H28N2O2 MolecularWeight: 424.53412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CC3=CC=CC=C3C2=O)CC=CC4=CC=CC=C4OC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1N2CC3=CC=CC=C3C2=O)C/C=C/C4=CC=CC=C4OC5=CC=CC=C5

InChI

InChI=1S/C28H28N2O2/c31-28-26-14-6-4-10-23(26)21-30(28)24-16-19-29(20-17-24)18-8-11-22-9-5-7-15-27(22)32-25-12-2-1-3-13-25/h1-15,24H,16-21H2/b11-8+