5-[4-(3-phenoxypropyl)piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[4-(3-phenoxypropyl)piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 2-isopropyl-5-[4-(3-phenoxypropyl)piperazin-1-yl]-2-phenyl-pentanenitrile CAS Name: 5-[4-(3-phenoxypropyl)-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-(3-phenoxypropyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 2-isopropyl-5-[4-(3-phenoxypropyl)piperazino]-2-phenyl-valeronitrile Formula: C27H37N3O MolecularWeight: 419.60218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCCOC2=CC=CC=C2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCCOC2=CC=CC=C2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C27H37N3O/c1-24(2)27(23-28,25-11-5-3-6-12-25)15-9-16-29-18-20-30(21-19-29)17-10-22-31-26-13-7-4-8-14-26/h3-8,11-14,24H,9-10,15-22H2,1-2H3