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

Systemtic Name: 2-(3-ethoxypropyl)-3-[[3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]carbonylphenyl]amino]-3H-isoindol-1-one Openeye Name: 3-[3-(4-cinnamylpiperazine-1-carbonyl)anilino]-2-(3-ethoxypropyl)isoindolin-1-one CAS Name: 2-(3-ethoxypropyl)-3-[3-[oxo-[4-(3-phenylprop-2-enyl)-1-piperazinyl]methyl]anilino]-3H-isoindol-1-one IUPAC Name: 2-(3-ethoxypropyl)-3-[3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]anilino]-3H-isoindol-1-one Traditional Name: 3-[3-(4-cinnamylpiperazine-1-carbonyl)anilino]-2-(3-ethoxypropyl)isoindolin-1-one Formula: C33H38N4O3 MolecularWeight: 538.67982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CCN(CC4)CC=CC5=CC=CC=C5

Isomeric SMILES

CCOCCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CCN(CC4)CC=CC5=CC=CC=C5

InChI

InChI=1S/C33H38N4O3/c1-2-40-24-10-19-37-31(29-16-6-7-17-30(29)33(37)39)34-28-15-8-14-27(25-28)32(38)36-22-20-35(21-23-36)18-9-13-26-11-4-3-5-12-26/h3-9,11-17,25,31,34H,2,10,18-24H2,1H3