2-(5-isocyanothiophen-2-yl)-5-[4-(2-phenoxyethyl)piperazin-1-yl]-2-propan-2-yl-pentanenitrile

Systemtic Name: 2-(5-isocyanothiophen-2-yl)-5-[4-(2-phenoxyethyl)piperazin-1-yl]-2-propan-2-yl-pentanenitrile Openeye Name: 2-(5-isocyano-2-thienyl)-2-isopropyl-5-[4-(2-phenoxyethyl)piperazin-1-yl]pentanenitrile CAS Name: 2-(5-isocyano-2-thiophenyl)-5-[4-(2-phenoxyethyl)-1-piperazinyl]-2-propan-2-ylpentanenitrile IUPAC Name: 2-(5-isocyanothiophen-2-yl)-5-[4-(2-phenoxyethyl)piperazin-1-yl]-2-propan-2-ylpentanenitrile Traditional Name: 2-(5-isocyano-2-thienyl)-2-isopropyl-5-[4-(2-phenoxyethyl)piperazino]valeronitrile Formula: C25H32N4OS MolecularWeight: 436.61278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC=C2)(C#N)C3=CC=C(S3)[N+]#[C-]

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC=C2)(C#N)C3=CC=C(S3)[N+]#[C-]

InChI

InChI=1S/C25H32N4OS/c1-21(2)25(20-26,23-10-11-24(27-3)31-23)12-7-13-28-14-16-29(17-15-28)18-19-30-22-8-5-4-6-9-22/h4-6,8-11,21H,7,12-19H2,1-2H3