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

Systemtic Name: 4-[4-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-[2-(2-methyl-1-piperidyl)-2-oxo-ethyl]piperazin-1-yl]-3-nitro-benzonitrile CAS Name: 4-[4-[2-(2-methyl-1-piperidinyl)-2-oxoethyl]-1-piperazinyl]-3-nitrobenzonitrile IUPAC Name: 4-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[4-[2-keto-2-(2-methylpiperidino)ethyl]piperazino]-3-nitro-benzonitrile Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O3/c1-15-4-2-3-7-23(15)19(25)14-21-8-10-22(11-9-21)17-6-5-16(13-20)12-18(17)24(26)27/h5-6,12,15H,2-4,7-11,14H2,1H3