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

Systemtic Name: 2-(2-methylpropyl)-3-[[4-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]amino]-3H-isoindol-1-one Openeye Name: 3-[4-(4-benzylpiperazine-1-carbonyl)anilino]-2-isobutyl-isoindolin-1-one CAS Name: 2-(2-methylpropyl)-3-[4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]anilino]-3H-isoindol-1-one IUPAC Name: 3-[4-(4-benzylpiperazine-1-carbonyl)anilino]-2-(2-methylpropyl)-3H-isoindol-1-one Traditional Name: 3-[4-(4-benzylpiperazine-1-carbonyl)anilino]-2-isobutyl-isoindolin-1-one Formula: C30H34N4O2 MolecularWeight: 482.61656

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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)CC5=CC=CC=C5

Isomeric SMILES

CC(C)CN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H34N4O2/c1-22(2)20-34-28(26-10-6-7-11-27(26)30(34)36)31-25-14-12-24(13-15-25)29(35)33-18-16-32(17-19-33)21-23-8-4-3-5-9-23/h3-15,22,28,31H,16-21H2,1-2H3