3-[[2-cyanoethyl-[1-(4-cyano-5-methyl-4-thiophen-2-yl-hexyl)pyrrolidin-3-yl]amino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[2-cyanoethyl-[1-(4-cyano-5-methyl-4-thiophen-2-yl-hexyl)pyrrolidin-3-yl]amino]methyl]benzenecarbonitrile Openeye Name: 3-[[2-cyanoethyl-[1-[4-cyano-5-methyl-4-(2-thienyl)hexyl]pyrrolidin-3-yl]amino]methyl]benzonitrile CAS Name: 3-[[2-cyanoethyl-[1-(4-cyano-5-methyl-4-thiophen-2-ylhexyl)-3-pyrrolidinyl]amino]methyl]benzonitrile IUPAC Name: 3-[[2-cyanoethyl-[1-(4-cyano-5-methyl-4-thiophen-2-ylhexyl)pyrrolidin-3-yl]amino]methyl]benzonitrile Traditional Name: 3-[[2-cyanoethyl-[1-[4-cyano-5-methyl-4-(2-thienyl)hexyl]pyrrolidin-3-yl]amino]methyl]benzonitrile Formula: C27H33N5S MolecularWeight: 459.64942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCC(C1)N(CCC#N)CC2=CC=CC(=C2)C#N)(C#N)C3=CC=CS3

Isomeric SMILES

CC(C)C(CCCN1CCC(C1)N(CCC#N)CC2=CC=CC(=C2)C#N)(C#N)C3=CC=CS3

InChI

InChI=1S/C27H33N5S/c1-22(2)27(21-30,26-9-4-16-33-26)11-5-13-31-15-10-25(20-31)32(14-6-12-28)19-24-8-3-7-23(17-24)18-29/h3-4,7-9,16-17,22,25H,5-6,10-11,13-15,19-20H2,1-2H3