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

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitro-N-[4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[4-(4-butyrylpiperazino)phenyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C27H35N5O4 MolecularWeight: 493.5979

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)N4CCC(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCC(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C27H35N5O4/c1-3-4-26(33)31-17-15-29(16-18-31)23-8-6-22(7-9-23)28-27(34)21-5-10-24(25(19-21)32(35)36)30-13-11-20(2)12-14-30/h5-10,19-20H,3-4,11-18H2,1-2H3,(H,28,34)