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

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-4-methoxy-3-nitro-benzamide CAS Name: 4-methoxy-3-nitro-N-[4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[4-(4-butyrylpiperazino)phenyl]-4-methoxy-3-nitro-benzamide Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O5/c1-3-4-21(27)25-13-11-24(12-14-25)18-8-6-17(7-9-18)23-22(28)16-5-10-20(31-2)19(15-16)26(29)30/h5-10,15H,3-4,11-14H2,1-2H3,(H,23,28)