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

Systemtic Name: 5-[3-[2-cyanoethyl-(phenylmethyl)amino]pyrrolidin-1-yl]-2-(5-isocyanothiophen-2-yl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-[3-[benzyl(2-cyanoethyl)amino]pyrrolidin-1-yl]-2-(5-isocyano-2-thienyl)-2-isopropyl-pentanenitrile CAS Name: 5-[3-[2-cyanoethyl-(phenylmethyl)amino]-1-pyrrolidinyl]-2-(5-isocyano-2-thiophenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-[3-[benzyl(2-cyanoethyl)amino]pyrrolidin-1-yl]-2-(5-isocyanothiophen-2-yl)-2-propan-2-ylpentanenitrile Traditional Name: 5-[3-[benzyl(2-cyanoethyl)amino]pyrrolidino]-2-(5-isocyano-2-thienyl)-2-isopropyl-valeronitrile Formula: C27H33N5S MolecularWeight: 459.64942

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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=C(S3)[N+]#[C-]

Isomeric SMILES

CC(C)C(CCCN1CCC(C1)N(CCC#N)CC2=CC=CC=C2)(C#N)C3=CC=C(S3)[N+]#[C-]

InChI

InChI=1S/C27H33N5S/c1-22(2)27(21-29,25-11-12-26(30-3)33-25)14-7-16-31-18-13-24(20-31)32(17-8-15-28)19-23-9-5-4-6-10-23/h4-6,9-12,22,24H,7-8,13-14,16-20H2,1-2H3