2-methyl-3-[2-(2-nitrophenyl)ethyl]-3-piperidin-4-yl-isoindol-1-one

Systemtic Name: 2-methyl-3-[2-(2-nitrophenyl)ethyl]-3-piperidin-4-yl-isoindol-1-one Openeye Name: 2-methyl-3-[2-(2-nitrophenyl)ethyl]-3-(4-piperidyl)isoindolin-1-one CAS Name: 2-methyl-3-[2-(2-nitrophenyl)ethyl]-3-(4-piperidinyl)-1-isoindolone IUPAC Name: 2-methyl-3-[2-(2-nitrophenyl)ethyl]-3-piperidin-4-ylisoindol-1-one Traditional Name: 2-methyl-3-[2-(2-nitrophenyl)ethyl]-3-(4-piperidyl)isoindolin-1-one Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C1(CCC3=CC=CC=C3[N+](=O)[O-])C4CCNCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C1(CCC3=CC=CC=C3[N+](=O)[O-])C4CCNCC4

InChI

InChI=1S/C22H25N3O3/c1-24-21(26)18-7-3-4-8-19(18)22(24,17-11-14-23-15-12-17)13-10-16-6-2-5-9-20(16)25(27)28/h2-9,17,23H,10-15H2,1H3