2-methoxy-5-nitro-N-[8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide

Systemtic Name: 2-methoxy-5-nitro-N-[8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide Openeye Name: N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methoxy-5-nitro-benzamide CAS Name: 2-methoxy-5-nitro-N-[8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide IUPAC Name: N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methoxy-5-nitrobenzamide Traditional Name: N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methoxy-5-nitro-benzamide Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O4/c1-29-21-10-9-19(25(27)28)13-20(21)22(26)23-16-11-17-7-8-18(12-16)24(17)14-15-5-3-2-4-6-15/h2-6,9-10,13,16-18H,7-8,11-12,14H2,1H3,(H,23,26)