5-[3-[2-cyanoethyl-(phenylmethyl)amino]pyrrolidin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile

Systemtic Name: 5-[3-[2-cyanoethyl-(phenylmethyl)amino]pyrrolidin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile Openeye Name: 5-[3-[benzyl(2-cyanoethyl)amino]pyrrolidin-1-yl]-2-isopropyl-2-(2-thienyl)pentanenitrile CAS Name: 5-[3-[2-cyanoethyl-(phenylmethyl)amino]-1-pyrrolidinyl]-2-propan-2-yl-2-thiophen-2-ylpentanenitrile IUPAC Name: 5-[3-[benzyl(2-cyanoethyl)amino]pyrrolidin-1-yl]-2-propan-2-yl-2-thiophen-2-ylpentanenitrile Traditional Name: 5-[3-[benzyl(2-cyanoethyl)amino]pyrrolidino]-2-isopropyl-2-(2-thienyl)valeronitrile Formula: C26H34N4S MolecularWeight: 434.63996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4S/c1-22(2)26(21-28,25-11-6-18-31-25)13-7-15-29-17-12-24(20-29)30(16-8-14-27)19-23-9-4-3-5-10-23/h3-6,9-11,18,22,24H,7-8,12-13,15-17,19-20H2,1-2H3