3-[[4-(4-ethanoylpiperazin-1-yl)carbonylphenyl]amino]-2-(2-methylpropyl)-3H-isoindol-1-one

Systemtic Name: 3-[[4-(4-ethanoylpiperazin-1-yl)carbonylphenyl]amino]-2-(2-methylpropyl)-3H-isoindol-1-one Openeye Name: 3-[4-(4-acetylpiperazine-1-carbonyl)anilino]-2-isobutyl-isoindolin-1-one CAS Name: 3-[4-[(4-acetyl-1-piperazinyl)-oxomethyl]anilino]-2-(2-methylpropyl)-3H-isoindol-1-one IUPAC Name: 3-[4-(4-acetylpiperazine-1-carbonyl)anilino]-2-(2-methylpropyl)-3H-isoindol-1-one Traditional Name: 3-[4-(4-acetylpiperazine-1-carbonyl)anilino]-2-isobutyl-isoindolin-1-one Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C(=O)C

Isomeric SMILES

CC(C)CN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C25H30N4O3/c1-17(2)16-29-23(21-6-4-5-7-22(21)25(29)32)26-20-10-8-19(9-11-20)24(31)28-14-12-27(13-15-28)18(3)30/h4-11,17,23,26H,12-16H2,1-3H3