3-[4-[(5-chloranylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylcarbonyl-piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[(5-chloranylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylcarbonyl-piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[(5-chloro-2-thienyl)methyl]-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-[(5-chloro-2-thiophenyl)methyl]-2-[oxo(1-pyrrolidinyl)methyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-[(5-chlorothiophen-2-yl)methyl]-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-[(5-chloro-2-thienyl)methyl]-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]benzonitrile Formula: C22H23ClN4O2S MolecularWeight: 442.96162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CN(CCN2C(=O)C3=CC=CC(=C3)C#N)CC4=CC=C(S4)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C2CN(CCN2C(=O)C3=CC=CC(=C3)C#N)CC4=CC=C(S4)Cl

InChI

InChI=1S/C22H23ClN4O2S/c23-20-7-6-18(30-20)14-25-10-11-27(19(15-25)22(29)26-8-1-2-9-26)21(28)17-5-3-4-16(12-17)13-24/h3-7,12,19H,1-2,8-11,14-15H2