2-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(4-ethylpiperazin-1-yl)carbonylphenyl]amino]-3H-isoindol-1-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(4-ethylpiperazin-1-yl)carbonylphenyl]amino]-3H-isoindol-1-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-[4-(4-ethylpiperazine-1-carbonyl)anilino]isoindolin-1-one CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-[4-[(4-ethyl-1-piperazinyl)-oxomethyl]anilino]-3H-isoindol-1-one IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-[4-(4-ethylpiperazine-1-carbonyl)anilino]-3H-isoindol-1-one Traditional Name: 3-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-piperonyl-isoindolin-1-one Formula: C29H30N4O4 MolecularWeight: 498.5729

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H30N4O4/c1-2-31-13-15-32(16-14-31)28(34)21-8-10-22(11-9-21)30-27-23-5-3-4-6-24(23)29(35)33(27)18-20-7-12-25-26(17-20)37-19-36-25/h3-12,17,27,30H,2,13-16,18-19H2,1H3