N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-2-(2-nitrophenoxy)ethanamide

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-2-(2-nitrophenoxy)ethanamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]-2-(2-nitrophenoxy)acetamide CAS Name: N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-2-(2-nitrophenoxy)acetamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-2-(2-nitrophenoxy)acetamide Traditional Name: N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]-2-(2-nitrophenoxy)acetamide Formula: C22H25ClN4O5 MolecularWeight: 460.9107

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-])Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-])Cl

InChI

InChI=1S/C22H25ClN4O5/c1-2-5-22(29)26-12-10-25(11-13-26)18-9-8-16(14-17(18)23)24-21(28)15-32-20-7-4-3-6-19(20)27(30)31/h3-4,6-9,14H,2,5,10-13,15H2,1H3,(H,24,28)