2-methyl-4-[1-[4-(2-quinolin-5-yloxyethyl)piperazin-1-yl]hexyl]benzenecarbonitrile

Systemtic Name: 2-methyl-4-[1-[4-(2-quinolin-5-yloxyethyl)piperazin-1-yl]hexyl]benzenecarbonitrile Openeye Name: 2-methyl-4-[1-[4-[2-(5-quinolyloxy)ethyl]piperazin-1-yl]hexyl]benzonitrile CAS Name: 2-methyl-4-[1-[4-[2-(5-quinolinyloxy)ethyl]-1-piperazinyl]hexyl]benzonitrile IUPAC Name: 2-methyl-4-[1-[4-(2-quinolin-5-yloxyethyl)piperazin-1-yl]hexyl]benzonitrile Traditional Name: 2-methyl-4-[1-[4-[2-(5-quinolyloxy)ethyl]piperazino]hexyl]benzonitrile Formula: C29H36N4O MolecularWeight: 456.62234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C29H36N4O/c1-3-4-5-10-28(24-12-13-25(22-30)23(2)21-24)33-17-15-32(16-18-33)19-20-34-29-11-6-9-27-26(29)8-7-14-31-27/h6-9,11-14,21,28H,3-5,10,15-20H2,1-2H3