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

Systemtic Name: 4-(4-methylpiperidin-1-yl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-3-nitro-benzamide Openeye Name: 4-(4-methyl-1-piperidyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-3-nitro-benzamide CAS Name: N-[[4-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: 4-(4-methylpiperidin-1-yl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-3-nitrobenzamide Traditional Name: N-[4-(isobutyrylamino)benzyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O4/c1-16(2)23(29)26-20-7-4-18(5-8-20)15-25-24(30)19-6-9-21(22(14-19)28(31)32)27-12-10-17(3)11-13-27/h4-9,14,16-17H,10-13,15H2,1-3H3,(H,25,30)(H,26,29)