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

Systemtic Name: 2-(3-ethoxypropyl)-3-[[3-[4-(4-nitrophenyl)piperazin-1-yl]carbonylphenyl]amino]-3H-isoindol-1-one Openeye Name: 2-(3-ethoxypropyl)-3-[3-[4-(4-nitrophenyl)piperazine-1-carbonyl]anilino]isoindolin-1-one CAS Name: 2-(3-ethoxypropyl)-3-[3-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]anilino]-3H-isoindol-1-one IUPAC Name: 2-(3-ethoxypropyl)-3-[3-[4-(4-nitrophenyl)piperazine-1-carbonyl]anilino]-3H-isoindol-1-one Traditional Name: 2-(3-ethoxypropyl)-3-[3-[4-(4-nitrophenyl)piperazine-1-carbonyl]anilino]isoindolin-1-one Formula: C30H33N5O5 MolecularWeight: 543.61352

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCOCCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H33N5O5/c1-2-40-20-6-15-34-28(26-9-3-4-10-27(26)30(34)37)31-23-8-5-7-22(21-23)29(36)33-18-16-32(17-19-33)24-11-13-25(14-12-24)35(38)39/h3-5,7-14,21,28,31H,2,6,15-20H2,1H3