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

Systemtic Name: 4-(4-methylpiperidin-1-yl)-N-[3-(2-methylpropanoylamino)phenyl]-3-nitro-benzamide Openeye Name: 4-(4-methyl-1-piperidyl)-N-[3-(2-methylpropanoylamino)phenyl]-3-nitro-benzamide CAS Name: N-[3-[(2-methyl-1-oxopropyl)amino]phenyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: 4-(4-methylpiperidin-1-yl)-N-[3-(2-methylpropanoylamino)phenyl]-3-nitrobenzamide Traditional Name: N-[3-(isobutyrylamino)phenyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O4/c1-15(2)22(28)24-18-5-4-6-19(14-18)25-23(29)17-7-8-20(21(13-17)27(30)31)26-11-9-16(3)10-12-26/h4-8,13-16H,9-12H2,1-3H3,(H,24,28)(H,25,29)