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

Systemtic Name: 4-methyl-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 4-methyl-3-[4-[2-(2-methyl-1-piperidyl)-2-oxo-ethyl]piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 4-methyl-3-[4-[2-(2-methyl-1-piperidinyl)-2-oxoethyl]-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 4-methyl-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 3-[4-[2-keto-2-(2-methylpiperidino)ethyl]piperazino]-4-methyl-5-nitro-benzonitrile Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CN2CCN(CC2)C3=C(C(=CC(=C3)C#N)[N+](=O)[O-])C

Isomeric SMILES

CC1CCCCN1C(=O)CN2CCN(CC2)C3=C(C(=CC(=C3)C#N)[N+](=O)[O-])C

InChI

InChI=1S/C20H27N5O3/c1-15-5-3-4-6-24(15)20(26)14-22-7-9-23(10-8-22)18-11-17(13-21)12-19(16(18)2)25(27)28/h11-12,15H,3-10,14H2,1-2H3