2-methyl-4-[1-[4-(quinolin-2-ylmethyl)piperazin-1-yl]hexyl]benzenecarbonitrile

Systemtic Name: 2-methyl-4-[1-[4-(quinolin-2-ylmethyl)piperazin-1-yl]hexyl]benzenecarbonitrile Openeye Name: 2-methyl-4-[1-[4-(2-quinolylmethyl)piperazin-1-yl]hexyl]benzonitrile CAS Name: 2-methyl-4-[1-[4-(2-quinolinylmethyl)-1-piperazinyl]hexyl]benzonitrile IUPAC Name: 2-methyl-4-[1-[4-(quinolin-2-ylmethyl)piperazin-1-yl]hexyl]benzonitrile Traditional Name: 2-methyl-4-[1-[4-(2-quinolylmethyl)piperazino]hexyl]benzonitrile Formula: C28H34N4 MolecularWeight: 426.59636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H34N4/c1-3-4-5-10-28(24-11-12-25(20-29)22(2)19-24)32-17-15-31(16-18-32)21-26-14-13-23-8-6-7-9-27(23)30-26/h6-9,11-14,19,28H,3-5,10,15-18,21H2,1-2H3