5-[4-(3-oxidanyl-2-phenoxy-propyl)piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[4-(3-oxidanyl-2-phenoxy-propyl)piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-(3-hydroxy-2-phenoxy-propyl)piperazin-1-yl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[4-(3-hydroxy-2-phenoxypropyl)-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-(3-hydroxy-2-phenoxypropyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-(3-hydroxy-2-phenoxy-propyl)piperazino]-2-isopropyl-2-phenyl-valeronitrile Formula: C27H37N3O2 MolecularWeight: 435.60158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CC(CO)OC2=CC=CC=C2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CC(CO)OC2=CC=CC=C2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C27H37N3O2/c1-23(2)27(22-28,24-10-5-3-6-11-24)14-9-15-29-16-18-30(19-17-29)20-26(21-31)32-25-12-7-4-8-13-25/h3-8,10-13,23,26,31H,9,14-21H2,1-2H3