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

Systemtic Name: 2-(3-methylbutyl)-3-[[4-[4-(2-methylphenyl)piperazin-1-yl]carbonylphenyl]amino]-3H-isoindol-1-one Openeye Name: 2-isopentyl-3-[4-[4-(o-tolyl)piperazine-1-carbonyl]anilino]isoindolin-1-one CAS Name: 2-(3-methylbutyl)-3-[4-[[4-(2-methylphenyl)-1-piperazinyl]-oxomethyl]anilino]-3H-isoindol-1-one IUPAC Name: 2-(3-methylbutyl)-3-[4-[4-(2-methylphenyl)piperazine-1-carbonyl]anilino]-3H-isoindol-1-one Traditional Name: 2-isoamyl-3-[4-[4-(o-tolyl)piperazine-1-carbonyl]anilino]isoindolin-1-one Formula: C31H36N4O2 MolecularWeight: 496.64314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC4C5=CC=CC=C5C(=O)N4CCC(C)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC4C5=CC=CC=C5C(=O)N4CCC(C)C

InChI

InChI=1S/C31H36N4O2/c1-22(2)16-17-35-29(26-9-5-6-10-27(26)31(35)37)32-25-14-12-24(13-15-25)30(36)34-20-18-33(19-21-34)28-11-7-4-8-23(28)3/h4-15,22,29,32H,16-21H2,1-3H3