4-(4-ethanoylpiperazin-1-yl)-N-[3-(3-methylphenoxy)propyl]-3-nitro-benzamide

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-N-[3-(3-methylphenoxy)propyl]-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[3-(3-methylphenoxy)propyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[3-(3-methylphenoxy)propyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[3-(3-methylphenoxy)propyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-[3-(3-methylphenoxy)propyl]-3-nitro-benzamide Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCNC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCCNC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O5/c1-17-5-3-6-20(15-17)32-14-4-9-24-23(29)19-7-8-21(22(16-19)27(30)31)26-12-10-25(11-13-26)18(2)28/h3,5-8,15-16H,4,9-14H2,1-2H3,(H,24,29)