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

Systemtic Name: 2-phenyl-2-propan-2-yl-5-[4-(2-quinolin-5-yloxyethyl)piperazin-1-yl]pentanenitrile Openeye Name: 2-isopropyl-2-phenyl-5-[4-[2-(5-quinolyloxy)ethyl]piperazin-1-yl]pentanenitrile CAS Name: 2-phenyl-2-propan-2-yl-5-[4-[2-(5-quinolinyloxy)ethyl]-1-piperazinyl]pentanenitrile IUPAC Name: 2-phenyl-2-propan-2-yl-5-[4-(2-quinolin-5-yloxyethyl)piperazin-1-yl]pentanenitrile Traditional Name: 2-isopropyl-2-phenyl-5-[4-[2-(5-quinolyloxy)ethyl]piperazino]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=CC=N3)(C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC3=C2C=CC=N3)(C#N)C4=CC=CC=C4

InChI

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