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

Systemtic Name: 2-(3-methoxypropyl)-3-[[3-[4-(4-nitrophenyl)piperazin-1-yl]carbonylphenyl]amino]-3H-isoindol-1-one Openeye Name: 2-(3-methoxypropyl)-3-[3-[4-(4-nitrophenyl)piperazine-1-carbonyl]anilino]isoindolin-1-one CAS Name: 2-(3-methoxypropyl)-3-[3-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]anilino]-3H-isoindol-1-one IUPAC Name: 2-(3-methoxypropyl)-3-[3-[4-(4-nitrophenyl)piperazine-1-carbonyl]anilino]-3H-isoindol-1-one Traditional Name: 2-(3-methoxypropyl)-3-[3-[4-(4-nitrophenyl)piperazine-1-carbonyl]anilino]isoindolin-1-one Formula: C29H31N5O5 MolecularWeight: 529.58694

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COCCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H31N5O5/c1-39-19-5-14-33-27(25-8-2-3-9-26(25)29(33)36)30-22-7-4-6-21(20-22)28(35)32-17-15-31(16-18-32)23-10-12-24(13-11-23)34(37)38/h2-4,6-13,20,27,30H,5,14-19H2,1H3