N-[3-(cyclopropylcarbamoyl)phenyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[3-(cyclopropylcarbamoyl)phenyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[3-(cyclopropylcarbamoyl)phenyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[3-[(cyclopropylamino)-oxomethyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[3-(cyclopropylcarbamoyl)phenyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-[3-(cyclopropylcarbamoyl)phenyl]-3-nitro-benzamide Formula: C23H25N5O5 MolecularWeight: 451.4751

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O5/c1-15(29)26-9-11-27(12-10-26)20-8-5-17(14-21(20)28(32)33)23(31)25-19-4-2-3-16(13-19)22(30)24-18-6-7-18/h2-5,8,13-14,18H,6-7,9-12H2,1H3,(H,24,30)(H,25,31)