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

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[4-(3-methoxyphenyl)-1-piperazinyl]propanamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[4-(3-methoxyphenyl)piperazino]propionamide Formula: C21H23ClN4O2 MolecularWeight: 398.88592

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)OC

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)N2CCN(CC2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H23ClN4O2/c1-15(21(27)24-17-7-6-16(14-23)20(22)12-17)25-8-10-26(11-9-25)18-4-3-5-19(13-18)28-2/h3-7,12-13,15H,8-11H2,1-2H3,(H,24,27)