4-[[4-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(5-nitroindolin-1-yl)-2-oxo-ethyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-keto-2-(5-nitroindolin-1-yl)ethyl]piperazino]methyl]benzonitrile Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)[N+](=O)[O-])C(=O)CN3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)[N+](=O)[O-])C(=O)CN3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H23N5O3/c23-14-17-1-3-18(4-2-17)15-24-9-11-25(12-10-24)16-22(28)26-8-7-19-13-20(27(29)30)5-6-21(19)26/h1-6,13H,7-12,15-16H2