N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-homopiperonyl-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-15-7-10-24(11-8-15)18-4-3-17(13-19(18)25(27)28)22(26)23-9-6-16-2-5-20-21(12-16)30-14-29-20/h2-5,12-13,15H,6-11,14H2,1H3,(H,23,26)