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

Systemtic Name: 3-[[4-(4-ethylpiperazin-1-yl)carbonylphenyl]amino]-2-(2-methylpropyl)-3H-isoindol-1-one Openeye Name: 3-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-isobutyl-isoindolin-1-one CAS Name: 3-[4-[(4-ethyl-1-piperazinyl)-oxomethyl]anilino]-2-(2-methylpropyl)-3H-isoindol-1-one IUPAC Name: 3-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-(2-methylpropyl)-3H-isoindol-1-one Traditional Name: 3-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-isobutyl-isoindolin-1-one Formula: C25H32N4O2 MolecularWeight: 420.54718

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3CC(C)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3CC(C)C

InChI

InChI=1S/C25H32N4O2/c1-4-27-13-15-28(16-14-27)24(30)19-9-11-20(12-10-19)26-23-21-7-5-6-8-22(21)25(31)29(23)17-18(2)3/h5-12,18,23,26H,4,13-17H2,1-3H3