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

Systemtic Name: 3-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]carbonylphenyl]amino]-2-(2-methylpropyl)-3H-isoindol-1-one Openeye Name: 2-isobutyl-3-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]anilino]isoindolin-1-one CAS Name: 3-[4-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]anilino]-2-(2-methylpropyl)-3H-isoindol-1-one IUPAC Name: 3-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]anilino]-2-(2-methylpropyl)-3H-isoindol-1-one Traditional Name: 2-isobutyl-3-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]anilino]isoindolin-1-one Formula: C30H34N4O3 MolecularWeight: 498.61596

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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)C5=CC=CC=C5OC

Isomeric SMILES

CC(C)CN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C30H34N4O3/c1-21(2)20-34-28(24-8-4-5-9-25(24)30(34)36)31-23-14-12-22(13-15-23)29(35)33-18-16-32(17-19-33)26-10-6-7-11-27(26)37-3/h4-15,21,28,31H,16-20H2,1-3H3