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

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: 3-nitro-N-[4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-4-(1-piperidinyl)benzamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[4-(4-butyrylpiperazino)phenyl]-3-nitro-4-piperidino-benzamide Formula: C26H33N5O4 MolecularWeight: 479.57132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C26H33N5O4/c1-2-6-25(32)30-17-15-28(16-18-30)22-10-8-21(9-11-22)27-26(33)20-7-12-23(24(19-20)31(34)35)29-13-4-3-5-14-29/h7-12,19H,2-6,13-18H2,1H3,(H,27,33)