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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-15-3-2-10-24(13-15)18-6-5-17(12-19(18)25(27)28)22(26)23-9-8-16-4-7-20-21(11-16)30-14-29-20/h4-7,11-12,15H,2-3,8-10,13-14H2,1H3,(H,23,26)