N-(3-chloranyl-4-cyano-phenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[4-(2-nitrophenyl)-1-piperazinyl]propanamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[4-(2-nitrophenyl)piperazino]propionamide Formula: C20H20ClN5O3 MolecularWeight: 413.8575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN5O3/c1-14(20(27)23-16-7-6-15(13-22)17(21)12-16)24-8-10-25(11-9-24)18-4-2-3-5-19(18)26(28)29/h2-7,12,14H,8-11H2,1H3,(H,23,27)