5-[4-(3-isocyano-4-methyl-3-phenyl-pentyl)piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[4-(3-isocyano-4-methyl-3-phenyl-pentyl)piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-(3-isocyano-4-methyl-3-phenyl-pentyl)piperazin-1-yl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[4-(3-isocyano-4-methyl-3-phenylpentyl)-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-(3-isocyano-4-methyl-3-phenylpentyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-(3-isocyano-4-methyl-3-phenyl-pentyl)piperazino]-2-isopropyl-2-phenyl-valeronitrile Formula: C31H42N4 MolecularWeight: 470.69198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCC(C2=CC=CC=C2)(C(C)C)[N+]#[C-])(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCC(C2=CC=CC=C2)(C(C)C)[N+]#[C-])(C#N)C3=CC=CC=C3

InChI

InChI=1S/C31H42N4/c1-26(2)30(25-32,28-13-8-6-9-14-28)17-12-19-34-21-23-35(24-22-34)20-18-31(33-5,27(3)4)29-15-10-7-11-16-29/h6-11,13-16,26-27H,12,17-24H2,1-4H3