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

Systemtic Name: 5-[4-(2-isoquinolin-5-yloxyethyl)piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 2-isopropyl-5-[4-[2-(5-isoquinolyloxy)ethyl]piperazin-1-yl]-2-phenyl-pentanenitrile CAS Name: 5-[4-[2-(5-isoquinolinyloxy)ethyl]-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-(2-isoquinolin-5-yloxyethyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 2-isopropyl-5-[4-[2-(5-isoquinolyloxy)ethyl]piperazino]-2-phenyl-valeronitrile Formula: C29H36N4O MolecularWeight: 456.62234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC3=C2C=CN=C3)(C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC3=C2C=CN=C3)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C29H36N4O/c1-24(2)29(23-30,26-9-4-3-5-10-26)13-7-15-32-16-18-33(19-17-32)20-21-34-28-11-6-8-25-22-31-14-12-27(25)28/h3-6,8-12,14,22,24H,7,13,15-21H2,1-2H3