N-(2-chloranyl-4-nitro-phenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[4-(4-cyanobenzyl)piperazino]acetamide Formula: C20H20ClN5O3 MolecularWeight: 413.8575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H20ClN5O3/c21-18-11-17(26(28)29)5-6-19(18)23-20(27)14-25-9-7-24(8-10-25)13-16-3-1-15(12-22)2-4-16/h1-6,11H,7-10,13-14H2,(H,23,27)