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

Systemtic Name: 2-methyl-4-[1-[4-(2-quinazolin-4-yloxyethyl)piperazin-1-yl]hexyl]benzenecarbonitrile Openeye Name: 2-methyl-4-[1-[4-(2-quinazolin-4-yloxyethyl)piperazin-1-yl]hexyl]benzonitrile CAS Name: 2-methyl-4-[1-[4-[2-(4-quinazolinyloxy)ethyl]-1-piperazinyl]hexyl]benzonitrile IUPAC Name: 2-methyl-4-[1-[4-(2-quinazolin-4-yloxyethyl)piperazin-1-yl]hexyl]benzonitrile Traditional Name: 2-methyl-4-[1-[4-(2-quinazolin-4-yloxyethyl)piperazino]hexyl]benzonitrile Formula: C28H35N5O MolecularWeight: 457.6104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C28H35N5O/c1-3-4-5-10-27(23-11-12-24(20-29)22(2)19-23)33-15-13-32(14-16-33)17-18-34-28-25-8-6-7-9-26(25)30-21-31-28/h6-9,11-12,19,21,27H,3-5,10,13-18H2,1-2H3