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

Systemtic Name: 2-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[1-[2-(1H-indol-3-yl)ethyl]-4-piperidyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[1-[2-(1H-indol-3-yl)ethyl]-4-piperidinyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[1-[2-(1H-indol-3-yl)ethyl]-4-piperidyl]-5-nitro-isoindoline-1,3-quinone Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CCC4=CNC5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C23H22N4O4/c28-22-19-6-5-17(27(30)31)13-20(19)23(29)26(22)16-8-11-25(12-9-16)10-7-15-14-24-21-4-2-1-3-18(15)21/h1-6,13-14,16,24H,7-12H2