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

Systemtic Name: 5-[4-(2-phenoxyethyl)piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 2-isopropyl-5-[4-(2-phenoxyethyl)piperazin-1-yl]-2-phenyl-pentanenitrile CAS Name: 5-[4-(2-phenoxyethyl)-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-(2-phenoxyethyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 2-isopropyl-5-[4-(2-phenoxyethyl)piperazino]-2-phenyl-valeronitrile Formula: C26H35N3O MolecularWeight: 405.5756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O/c1-23(2)26(22-27,24-10-5-3-6-11-24)14-9-15-28-16-18-29(19-17-28)20-21-30-25-12-7-4-8-13-25/h3-8,10-13,23H,9,14-21H2,1-2H3