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

Systemtic Name: 2-phenyl-2-propan-2-yl-5-[4-(quinolin-2-ylmethyl)piperazin-1-yl]pentanenitrile Openeye Name: 2-isopropyl-2-phenyl-5-[4-(2-quinolylmethyl)piperazin-1-yl]pentanenitrile CAS Name: 2-phenyl-2-propan-2-yl-5-[4-(2-quinolinylmethyl)-1-piperazinyl]pentanenitrile IUPAC Name: 2-phenyl-2-propan-2-yl-5-[4-(quinolin-2-ylmethyl)piperazin-1-yl]pentanenitrile Traditional Name: 2-isopropyl-2-phenyl-5-[4-(2-quinolylmethyl)piperazino]valeronitrile Formula: C28H34N4 MolecularWeight: 426.59636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CC2=NC3=CC=CC=C3C=C2)(C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CC2=NC3=CC=CC=C3C=C2)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C28H34N4/c1-23(2)28(22-29,25-10-4-3-5-11-25)15-8-16-31-17-19-32(20-18-31)21-26-14-13-24-9-6-7-12-27(24)30-26/h3-7,9-14,23H,8,15-21H2,1-2H3