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

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-N-[(3-methoxyphenyl)methyl]-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[(3-methoxyphenyl)methyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[(3-methoxyphenyl)methyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[(3-methoxyphenyl)methyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-m-anisyl-3-nitro-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(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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