3-[[3-(4-ethylpiperazin-1-yl)carbonylphenyl]amino]-2-(oxolan-2-ylmethyl)-3H-isoindol-1-one

Systemtic Name: 3-[[3-(4-ethylpiperazin-1-yl)carbonylphenyl]amino]-2-(oxolan-2-ylmethyl)-3H-isoindol-1-one Openeye Name: 3-[3-(4-ethylpiperazine-1-carbonyl)anilino]-2-(tetrahydrofuran-2-ylmethyl)isoindolin-1-one CAS Name: 3-[3-[(4-ethyl-1-piperazinyl)-oxomethyl]anilino]-2-(2-oxolanylmethyl)-3H-isoindol-1-one IUPAC Name: 3-[3-(4-ethylpiperazine-1-carbonyl)anilino]-2-(oxolan-2-ylmethyl)-3H-isoindol-1-one Traditional Name: 3-[3-(4-ethylpiperazine-1-carbonyl)anilino]-2-(tetrahydrofurfuryl)isoindolin-1-one Formula: C26H32N4O3 MolecularWeight: 448.55728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CC(=CC=C2)NC3C4=CC=CC=C4C(=O)N3CC5CCCO5

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CC(=CC=C2)NC3C4=CC=CC=C4C(=O)N3CC5CCCO5

InChI

InChI=1S/C26H32N4O3/c1-2-28-12-14-29(15-13-28)25(31)19-7-5-8-20(17-19)27-24-22-10-3-4-11-23(22)26(32)30(24)18-21-9-6-16-33-21/h3-5,7-8,10-11,17,21,24,27H,2,6,9,12-16,18H2,1H3