N-[[3-(methoxymethyl)phenyl]methyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[[3-(methoxymethyl)phenyl]methyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[[3-(methoxymethyl)phenyl]methyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[[3-(methoxymethyl)phenyl]methyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[[3-(methoxymethyl)phenyl]methyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[3-(methoxymethyl)benzyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)COC)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)COC)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O4/c1-16-8-10-24(11-9-16)20-7-6-19(13-21(20)25(27)28)22(26)23-14-17-4-3-5-18(12-17)15-29-2/h3-7,12-13,16H,8-11,14-15H2,1-2H3,(H,23,26)