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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CN2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CN2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C20H27N5O3/c1-15-9-16(2)13-24(12-15)20(26)14-22-5-7-23(8-6-22)19-4-3-18(25(27)28)10-17(19)11-21/h3-4,10,15-16H,5-9,12-14H2,1-2H3