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

Systemtic Name: 3-[2-[2-cyanoethyl-[1-(4-cyano-5-methyl-4-thiophen-2-yl-hexyl)pyrrolidin-3-yl]amino]ethoxy]benzenecarbonitrile Openeye Name: 3-[2-[2-cyanoethyl-[1-[4-cyano-5-methyl-4-(2-thienyl)hexyl]pyrrolidin-3-yl]amino]ethoxy]benzonitrile CAS Name: 3-[2-[2-cyanoethyl-[1-(4-cyano-5-methyl-4-thiophen-2-ylhexyl)-3-pyrrolidinyl]amino]ethoxy]benzonitrile IUPAC Name: 3-[2-[2-cyanoethyl-[1-(4-cyano-5-methyl-4-thiophen-2-ylhexyl)pyrrolidin-3-yl]amino]ethoxy]benzonitrile Traditional Name: 3-[2-[2-cyanoethyl-[1-[4-cyano-5-methyl-4-(2-thienyl)hexyl]pyrrolidin-3-yl]amino]ethoxy]benzonitrile Formula: C28H35N5OS MolecularWeight: 489.6754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCC(C1)N(CCC#N)CCOC2=CC=CC(=C2)C#N)(C#N)C3=CC=CS3

Isomeric SMILES

CC(C)C(CCCN1CCC(C1)N(CCC#N)CCOC2=CC=CC(=C2)C#N)(C#N)C3=CC=CS3

InChI

InChI=1S/C28H35N5OS/c1-23(2)28(22-31,27-9-4-18-35-27)11-5-13-32-15-10-25(21-32)33(14-6-12-29)16-17-34-26-8-3-7-24(19-26)20-30/h3-4,7-9,18-19,23,25H,5-6,10-11,13-17,21H2,1-2H3