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

Systemtic Name: 3-[1-(5-bromanylpentyl)-2-oxidanylidene-quinolin-3-yl]-4-phenylmethoxy-benzenecarbonitrile Openeye Name: 4-benzyloxy-3-[1-(5-bromopentyl)-2-oxo-3-quinolyl]benzonitrile CAS Name: 3-[1-(5-bromopentyl)-2-oxo-3-quinolinyl]-4-phenylmethoxybenzonitrile IUPAC Name: 3-[1-(5-bromopentyl)-2-oxoquinolin-3-yl]-4-phenylmethoxybenzonitrile Traditional Name: 4-benzoxy-3-[1-(5-bromopentyl)-2-keto-3-quinolyl]benzonitrile Formula: C28H25BrN2O2 MolecularWeight: 501.4143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C#N)C3=CC4=CC=CC=C4N(C3=O)CCCCCBr

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C#N)C3=CC4=CC=CC=C4N(C3=O)CCCCCBr

InChI

InChI=1S/C28H25BrN2O2/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/h1,3-6,9-14,17-18H,2,7-8,15-16,20H2