N-(1,3-benzodioxol-5-ylmethyl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(3S,5S)-3,5-dimethyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: 4-[(3S,5S)-3,5-dimethylpiperidino]-3-nitro-N-piperonyl-benzamide Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-])C

InChI

InChI=1S/C22H25N3O5/c1-14-7-15(2)12-24(11-14)18-5-4-17(9-19(18)25(27)28)22(26)23-10-16-3-6-20-21(8-16)30-13-29-20/h3-6,8-9,14-15H,7,10-13H2,1-2H3,(H,23,26)/t14-,15-/m0/s1