5-[4-(2-azanyl-3-phenyl-propanoyl)piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile

Systemtic Name: 5-[4-(2-azanyl-3-phenyl-propanoyl)piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile Openeye Name: 5-[4-(2-amino-3-phenyl-propanoyl)piperazin-1-yl]-2-isopropyl-2-(2-thienyl)pentanenitrile CAS Name: 5-[4-(2-amino-1-oxo-3-phenylpropyl)-1-piperazinyl]-2-propan-2-yl-2-thiophen-2-ylpentanenitrile IUPAC Name: 5-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-ylpentanenitrile Traditional Name: 2-isopropyl-5-(4-phenylalanylpiperazino)-2-(2-thienyl)valeronitrile Formula: C25H34N4OS MolecularWeight: 438.62866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)C(=O)C(CC2=CC=CC=C2)N)(C#N)C3=CC=CS3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)C(=O)C(CC2=CC=CC=C2)N)(C#N)C3=CC=CS3

InChI

InChI=1S/C25H34N4OS/c1-20(2)25(19-26,23-10-6-17-31-23)11-7-12-28-13-15-29(16-14-28)24(30)22(27)18-21-8-4-3-5-9-21/h3-6,8-10,17,20,22H,7,11-16,18,27H2,1-2H3