N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methyl-phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methyl-phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[5-[5-(hydroxymethyl)-2-furyl]-2-methyl-phenyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[5-[5-(hydroxymethyl)-2-furanyl]-2-methylphenyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[2-methyl-5-(5-methylol-2-furyl)phenyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C4=CC=C(O4)CO)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C4=CC=C(O4)CO)C)[N+](=O)[O-]

InChI

InChI=1S/C25H27N3O5/c1-16-9-11-27(12-10-16)22-7-5-19(14-23(22)28(31)32)25(30)26-21-13-18(4-3-17(21)2)24-8-6-20(15-29)33-24/h3-8,13-14,16,29H,9-12,15H2,1-2H3,(H,26,30)