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

Systemtic Name: 3-[[4-[4-(2-methylphenyl)piperazin-1-yl]carbonylphenyl]amino]-2-propan-2-yl-3H-isoindol-1-one Openeye Name: 2-isopropyl-3-[4-[4-(o-tolyl)piperazine-1-carbonyl]anilino]isoindolin-1-one CAS Name: 3-[4-[[4-(2-methylphenyl)-1-piperazinyl]-oxomethyl]anilino]-2-propan-2-yl-3H-isoindol-1-one IUPAC Name: 3-[4-[4-(2-methylphenyl)piperazine-1-carbonyl]anilino]-2-propan-2-yl-3H-isoindol-1-one Traditional Name: 2-isopropyl-3-[4-[4-(o-tolyl)piperazine-1-carbonyl]anilino]isoindolin-1-one Formula: C29H32N4O2 MolecularWeight: 468.58998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC4C5=CC=CC=C5C(=O)N4C(C)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC4C5=CC=CC=C5C(=O)N4C(C)C

InChI

InChI=1S/C29H32N4O2/c1-20(2)33-27(24-9-5-6-10-25(24)29(33)35)30-23-14-12-22(13-15-23)28(34)32-18-16-31(17-19-32)26-11-7-4-8-21(26)3/h4-15,20,27,30H,16-19H2,1-3H3