4-[[4-[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(4-methyl-1-piperidyl)-5-nitro-benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[2-(4-methyl-1-piperidinyl)-5-nitrophenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(4-methylpiperidino)-5-nitro-benzoyl]piperazino]methyl]benzonitrile Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H29N5O3/c1-19-8-10-28(11-9-19)24-7-6-22(30(32)33)16-23(24)25(31)29-14-12-27(13-15-29)18-21-4-2-20(17-26)3-5-21/h2-7,16,19H,8-15,18H2,1H3