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

Systemtic Name: 2-phenyl-2-propan-2-yl-5-[4-[2-(3-thiophen-3-ylphenoxy)ethyl]piperazin-1-yl]pentanenitrile Openeye Name: 2-isopropyl-2-phenyl-5-[4-[2-[3-(3-thienyl)phenoxy]ethyl]piperazin-1-yl]pentanenitrile CAS Name: 2-phenyl-2-propan-2-yl-5-[4-[2-[3-(3-thiophenyl)phenoxy]ethyl]-1-piperazinyl]pentanenitrile IUPAC Name: 2-phenyl-2-propan-2-yl-5-[4-[2-(3-thiophen-3-ylphenoxy)ethyl]piperazin-1-yl]pentanenitrile Traditional Name: 2-isopropyl-2-phenyl-5-[4-[2-[3-(3-thienyl)phenoxy]ethyl]piperazino]valeronitrile Formula: C30H37N3OS MolecularWeight: 487.69928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC(=C2)C3=CSC=C3)(C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC(=C2)C3=CSC=C3)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C30H37N3OS/c1-25(2)30(24-31,28-9-4-3-5-10-28)13-7-14-32-15-17-33(18-16-32)19-20-34-29-11-6-8-26(22-29)27-12-21-35-23-27/h3-6,8-12,21-23,25H,7,13-20H2,1-2H3