4-(4-ethanoylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]-3-nitro-benzamide

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-3-nitro-N-p-anisyl-benzamide Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5/c1-15(26)23-9-11-24(12-10-23)19-8-5-17(13-20(19)25(28)29)21(27)22-14-16-3-6-18(30-2)7-4-16/h3-8,13H,9-12,14H2,1-2H3,(H,22,27)