N-[1-(3-acetamidophenyl)ethyl]-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC(C)C3=CC(=CC=C3)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC(C)C3=CC(=CC=C3)NC(=O)C)[N+](=O)[O-]

InChI

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