3-[[3-[1-(3-chloranylthiophen-2-yl)carbonylpyrrolidin-3-yl]indol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[3-[1-(3-chloranylthiophen-2-yl)carbonylpyrrolidin-3-yl]indol-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[3-[1-(3-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]indol-1-yl]methyl]benzonitrile CAS Name: 3-[[3-[1-[(3-chloro-2-thiophenyl)-oxomethyl]-3-pyrrolidinyl]-1-indolyl]methyl]benzonitrile IUPAC Name: 3-[[3-[1-(3-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]indol-1-yl]methyl]benzonitrile Traditional Name: 3-[[3-[1-(3-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]indol-1-yl]methyl]benzonitrile Formula: C25H20ClN3OS MolecularWeight: 445.9638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C2=CN(C3=CC=CC=C32)CC4=CC=CC(=C4)C#N)C(=O)C5=C(C=CS5)Cl

Isomeric SMILES

C1CN(CC1C2=CN(C3=CC=CC=C32)CC4=CC=CC(=C4)C#N)C(=O)C5=C(C=CS5)Cl

InChI

InChI=1S/C25H20ClN3OS/c26-22-9-11-31-24(22)25(30)28-10-8-19(15-28)21-16-29(23-7-2-1-6-20(21)23)14-18-5-3-4-17(12-18)13-27/h1-7,9,11-12,16,19H,8,10,14-15H2