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

Systemtic Name: 5-[4-(5-methyl-4-phenyl-hexyl)piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 2-isopropyl-5-[4-(5-methyl-4-phenyl-hexyl)piperazin-1-yl]-2-phenyl-pentanenitrile CAS Name: 5-[4-(5-methyl-4-phenylhexyl)-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-(5-methyl-4-phenylhexyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 2-isopropyl-5-[4-(5-methyl-4-phenyl-hexyl)piperazino]-2-phenyl-valeronitrile Formula: C31H45N3 MolecularWeight: 459.7091

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H45N3/c1-26(2)30(28-13-7-5-8-14-28)17-11-19-33-21-23-34(24-22-33)20-12-18-31(25-32,27(3)4)29-15-9-6-10-16-29/h5-10,13-16,26-27,30H,11-12,17-24H2,1-4H3