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

Systemtic Name: 4-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-3-nitro-benzamide Openeye Name: 4-[4-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]piperazin-1-yl]-3-nitro-benzamide CAS Name: 4-[4-[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]-1-piperazinyl]-3-nitrobenzamide IUPAC Name: 4-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-nitrobenzamide Traditional Name: 4-[4-[2-(3,5-dimethylpiperidino)-2-keto-ethyl]piperazino]-3-nitro-benzamide Formula: C20H29N5O4 MolecularWeight: 403.47536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O4/c1-14-9-15(2)12-24(11-14)19(26)13-22-5-7-23(8-6-22)17-4-3-16(20(21)27)10-18(17)25(28)29/h3-4,10,14-15H,5-9,11-13H2,1-2H3,(H2,21,27)