N-[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[4-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[4-[4-(4-ethylbenzoyl)piperazino]phenyl]-2-methyl-3-nitro-benzamide Formula: C27H28N4O4 MolecularWeight: 472.53562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C27H28N4O4/c1-3-20-7-9-21(10-8-20)27(33)30-17-15-29(16-18-30)23-13-11-22(12-14-23)28-26(32)24-5-4-6-25(19(24)2)31(34)35/h4-14H,3,15-18H2,1-2H3,(H,28,32)