3-[1-(5-bromanylpentyl)-2-oxidanylidene-3,4-dihydroquinolin-3-yl]-4-phenylmethoxy-benzenecarbonitrile

Systemtic Name: 3-[1-(5-bromanylpentyl)-2-oxidanylidene-3,4-dihydroquinolin-3-yl]-4-phenylmethoxy-benzenecarbonitrile Openeye Name: 4-benzyloxy-3-[1-(5-bromopentyl)-2-oxo-3,4-dihydroquinolin-3-yl]benzonitrile CAS Name: 3-[1-(5-bromopentyl)-2-oxo-3,4-dihydroquinolin-3-yl]-4-phenylmethoxybenzonitrile IUPAC Name: 3-[1-(5-bromopentyl)-2-oxo-3,4-dihydroquinolin-3-yl]-4-phenylmethoxybenzonitrile Traditional Name: 4-benzoxy-3-[1-(5-bromopentyl)-2-keto-3,4-dihydroquinolin-3-yl]benzonitrile Formula: C28H27BrN2O2 MolecularWeight: 503.43018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C2=CC=CC=C21)CCCCCBr)C3=C(C=CC(=C3)C#N)OCC4=CC=CC=C4

Isomeric SMILES

C1C(C(=O)N(C2=CC=CC=C21)CCCCCBr)C3=C(C=CC(=C3)C#N)OCC4=CC=CC=C4

InChI

InChI=1S/C28H27BrN2O2/c29-15-7-2-8-16-31-26-12-6-5-11-23(26)18-25(28(31)32)24-17-22(19-30)13-14-27(24)33-20-21-9-3-1-4-10-21/h1,3-6,9-14,17,25H,2,7-8,15-16,18,20H2