N-[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[4-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[4-[4-(4-chlorobenzoyl)piperazino]phenyl]-2-morpholino-5-nitro-benzamide Formula: C28H28ClN5O5 MolecularWeight: 550.00542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H28ClN5O5/c29-21-3-1-20(2-4-21)28(36)33-13-11-31(12-14-33)23-7-5-22(6-8-23)30-27(35)25-19-24(34(37)38)9-10-26(25)32-15-17-39-18-16-32/h1-10,19H,11-18H2,(H,30,35)