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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-2-[[1-(phenylmethyl)piperidin-4-yl]amino]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-benzyl-4-piperidyl)amino]-5-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-2-[[1-(phenylmethyl)-4-piperidinyl]amino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-benzylpiperidin-4-yl)amino]-5-nitrobenzamide Traditional Name: 2-[(1-benzyl-4-piperidyl)amino]-5-nitro-N-piperonyl-benzamide Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C27H28N4O5/c32-27(28-16-20-6-9-25-26(14-20)36-18-35-25)23-15-22(31(33)34)7-8-24(23)29-21-10-12-30(13-11-21)17-19-4-2-1-3-5-19/h1-9,14-15,21,29H,10-13,16-18H2,(H,28,32)