2-[2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]carbonylphenyl]benzenecarbonitrile

Systemtic Name: 2-[2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]carbonylphenyl]benzenecarbonitrile Openeye Name: 2-[2-[4-(3-thienylmethyl)piperazine-1-carbonyl]phenyl]benzonitrile CAS Name: 2-[2-[oxo-[4-(3-thiophenylmethyl)-1-piperazinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[2-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]phenyl]benzonitrile Traditional Name: 2-[2-[4-(3-thenyl)piperazine-1-carbonyl]phenyl]benzonitrile Formula: C23H21N3OS MolecularWeight: 387.49734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)C(=O)C3=CC=CC=C3C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)C(=O)C3=CC=CC=C3C4=CC=CC=C4C#N

InChI

InChI=1S/C23H21N3OS/c24-15-19-5-1-2-6-20(19)21-7-3-4-8-22(21)23(27)26-12-10-25(11-13-26)16-18-9-14-28-17-18/h1-9,14,17H,10-13,16H2