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

Systemtic Name: N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[3-[5-(hydroxymethyl)-2-furyl]phenyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[3-[5-(hydroxymethyl)-2-furanyl]phenyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[3-(5-methylol-2-furyl)phenyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C24H25N3O5 MolecularWeight: 435.4724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O5/c1-16-9-11-26(12-10-16)21-7-5-18(14-22(21)27(30)31)24(29)25-19-4-2-3-17(13-19)23-8-6-20(15-28)32-23/h2-8,13-14,16,28H,9-12,15H2,1H3,(H,25,29)