2-ethyl-3-[[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonylphenyl]amino]-3H-isoindol-1-one

Systemtic Name: 2-ethyl-3-[[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonylphenyl]amino]-3H-isoindol-1-one Openeye Name: 3-[4-[4-[(E)-cinnamyl]piperazine-1-carbonyl]anilino]-2-ethyl-isoindolin-1-one CAS Name: 2-ethyl-3-[4-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]anilino]-3H-isoindol-1-one IUPAC Name: 2-ethyl-3-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]anilino]-3H-isoindol-1-one Traditional Name: 3-[4-[4-[(E)-cinnamyl]piperazine-1-carbonyl]anilino]-2-ethyl-isoindolin-1-one Formula: C30H32N4O2 MolecularWeight: 480.60068

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)CC=CC5=CC=CC=C5

Isomeric SMILES

CCN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C30H32N4O2/c1-2-34-28(26-12-6-7-13-27(26)30(34)36)31-25-16-14-24(15-17-25)29(35)33-21-19-32(20-22-33)18-8-11-23-9-4-3-5-10-23/h3-17,28,31H,2,18-22H2,1H3/b11-8+