5-[4-[2-[3-[(E)-2-cyanoethenyl]phenoxy]ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[4-[2-[3-[(E)-2-cyanoethenyl]phenoxy]ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-[2-[3-[(E)-2-cyanovinyl]phenoxy]ethyl]piperazin-1-yl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[4-[2-[3-[(E)-2-cyanoethenyl]phenoxy]ethyl]-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[2-[3-[(E)-2-cyanoethenyl]phenoxy]ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-[2-[3-[(E)-2-cyanovinyl]phenoxy]ethyl]piperazino]-2-isopropyl-2-phenyl-valeronitrile Formula: C29H36N4O MolecularWeight: 456.62234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N4O/c1-25(2)29(24-31,27-11-4-3-5-12-27)14-8-16-32-17-19-33(20-18-32)21-22-34-28-13-6-9-26(23-28)10-7-15-30/h3-7,9-13,23,25H,8,14,16-22H2,1-2H3/b10-7+