2-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[1-(1H-indol-3-ylmethyl)-4-piperidyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[1-(1H-indol-3-ylmethyl)-4-piperidinyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[1-(1H-indol-3-ylmethyl)-4-piperidyl]-5-nitro-isoindoline-1,3-quinone Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CC4=CNC5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CC4=CNC5=CC=CC=C54

InChI

InChI=1S/C22H20N4O4/c27-21-18-6-5-16(26(29)30)11-19(18)22(28)25(21)15-7-9-24(10-8-15)13-14-12-23-20-4-2-1-3-17(14)20/h1-6,11-12,15,23H,7-10,13H2