3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(benzothiophen-3-ylmethyl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(1-benzothiophen-3-ylmethyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(benzothiophen-3-ylmethyl)piperazine-1-carbonyl]benzonitrile Formula: C21H19N3OS MolecularWeight: 361.46006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC3=CC=CC=C32)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1CC2=CSC3=CC=CC=C32)C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H19N3OS/c22-13-16-4-3-5-17(12-16)21(25)24-10-8-23(9-11-24)14-18-15-26-20-7-2-1-6-19(18)20/h1-7,12,15H,8-11,14H2