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

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]-4-morpholino-3-nitro-benzamide Formula: C25H30ClN5O5 MolecularWeight: 515.9892

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])Cl

InChI

InChI=1S/C25H30ClN5O5/c1-2-3-24(32)30-10-8-28(9-11-30)21-7-5-19(17-20(21)26)27-25(33)18-4-6-22(23(16-18)31(34)35)29-12-14-36-15-13-29/h4-7,16-17H,2-3,8-15H2,1H3,(H,27,33)