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

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[4-(3-thienylmethyl)piperazin-1-yl]propanamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[4-(3-thiophenylmethyl)-1-piperazinyl]propanamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[4-(3-thenyl)piperazino]propionamide Formula: C19H21ClN4OS MolecularWeight: 388.91424

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)CC3=CSC=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)N2CCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C19H21ClN4OS/c1-14(19(25)22-17-3-2-16(11-21)18(20)10-17)24-7-5-23(6-8-24)12-15-4-9-26-13-15/h2-4,9-10,13-14H,5-8,12H2,1H3,(H,22,25)