4-[4-[[5-azanyl-4-(4-chlorophenyl)carbonyl-thiophen-3-yl]methyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-[[5-azanyl-4-(4-chlorophenyl)carbonyl-thiophen-3-yl]methyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-[[5-amino-4-(4-chlorobenzoyl)-3-thienyl]methyl]piperazin-1-yl]benzonitrile CAS Name: 4-[4-[[5-amino-4-[(4-chlorophenyl)-oxomethyl]-3-thiophenyl]methyl]-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-[[5-amino-4-(4-chlorobenzoyl)thiophen-3-yl]methyl]piperazin-1-yl]benzonitrile Traditional Name: 4-[4-[[5-amino-4-(4-chlorobenzoyl)-3-thienyl]methyl]piperazino]benzonitrile Formula: C23H21ClN4OS MolecularWeight: 436.95704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC(=C2C(=O)C3=CC=C(C=C3)Cl)N)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1CC2=CSC(=C2C(=O)C3=CC=C(C=C3)Cl)N)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H21ClN4OS/c24-19-5-3-17(4-6-19)22(29)21-18(15-30-23(21)26)14-27-9-11-28(12-10-27)20-7-1-16(13-25)2-8-20/h1-8,15H,9-12,14,26H2