5-(4-isoquinolin-1-ylpiperazin-1-yl)-2-phenyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-(4-isoquinolin-1-ylpiperazin-1-yl)-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 2-isopropyl-5-[4-(1-isoquinolyl)piperazin-1-yl]-2-phenyl-pentanenitrile CAS Name: 5-[4-(1-isoquinolinyl)-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-(4-isoquinolin-1-ylpiperazin-1-yl)-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 2-isopropyl-5-[4-(1-isoquinolyl)piperazino]-2-phenyl-valeronitrile Formula: C27H32N4 MolecularWeight: 412.56978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)C2=NC=CC3=CC=CC=C32)(C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)C2=NC=CC3=CC=CC=C32)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C27H32N4/c1-22(2)27(21-28,24-10-4-3-5-11-24)14-8-16-30-17-19-31(20-18-30)26-25-12-7-6-9-23(25)13-15-29-26/h3-7,9-13,15,22H,8,14,16-20H2,1-2H3