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

Systemtic Name: N-[4-(butanoylamino)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[4-(butanoylamino)phenyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitro-N-[4-(1-oxobutylamino)phenyl]benzamide IUPAC Name: N-[4-(butanoylamino)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(4-butyramidophenyl)-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O4/c1-3-4-22(28)24-18-6-8-19(9-7-18)25-23(29)17-5-10-20(21(15-17)27(30)31)26-13-11-16(2)12-14-26/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,24,28)(H,25,29)