N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-3-nitro-benzamide

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-3-nitro-benzamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]-3-nitro-benzamide CAS Name: N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-3-nitrobenzamide Traditional Name: N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]-3-nitro-benzamide Formula: C21H23ClN4O4 MolecularWeight: 430.88472

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H23ClN4O4/c1-2-4-20(27)25-11-9-24(10-12-25)19-8-7-16(14-18(19)22)23-21(28)15-5-3-6-17(13-15)26(29)30/h3,5-8,13-14H,2,4,9-12H2,1H3,(H,23,28)