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

Systemtic Name: 3-[[4-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]amino]-2-propan-2-yl-3H-isoindol-1-one Openeye Name: 3-[4-(4-benzylpiperazine-1-carbonyl)anilino]-2-isopropyl-isoindolin-1-one CAS Name: 3-[4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]anilino]-2-propan-2-yl-3H-isoindol-1-one IUPAC Name: 3-[4-(4-benzylpiperazine-1-carbonyl)anilino]-2-propan-2-yl-3H-isoindol-1-one Traditional Name: 3-[4-(4-benzylpiperazine-1-carbonyl)anilino]-2-isopropyl-isoindolin-1-one Formula: C29H32N4O2 MolecularWeight: 468.58998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)N1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H32N4O2/c1-21(2)33-27(25-10-6-7-11-26(25)29(33)35)30-24-14-12-23(13-15-24)28(34)32-18-16-31(17-19-32)20-22-8-4-3-5-9-22/h3-15,21,27,30H,16-20H2,1-2H3