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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-methylpiperidin-4-yl)amino]-5-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-methyl-4-piperidyl)amino]-5-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-methyl-4-piperidinyl)amino]-5-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-methylpiperidin-4-yl)amino]-5-nitrobenzamide Traditional Name: 2-[(1-methyl-4-piperidyl)amino]-5-nitro-N-piperonyl-benzamide Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1CCC(CC1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N4O5/c1-24-8-6-15(7-9-24)23-18-4-3-16(25(27)28)11-17(18)21(26)22-12-14-2-5-19-20(10-14)30-13-29-19/h2-5,10-11,15,23H,6-9,12-13H2,1H3,(H,22,26)