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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)C2=NC3=CC=CC=C3C=C2)(C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)C2=NC3=CC=CC=C3C=C2)(C#N)C4=CC=CC=C4

InChI

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