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

Systemtic Name: 3-[4-(5-bromanylpentyl)-3-oxidanylidene-quinoxalin-2-yl]-4-phenylmethoxy-benzenecarbonitrile Openeye Name: 4-benzyloxy-3-[4-(5-bromopentyl)-3-oxo-quinoxalin-2-yl]benzonitrile CAS Name: 3-[4-(5-bromopentyl)-3-oxo-2-quinoxalinyl]-4-phenylmethoxybenzonitrile IUPAC Name: 3-[4-(5-bromopentyl)-3-oxoquinoxalin-2-yl]-4-phenylmethoxybenzonitrile Traditional Name: 4-benzoxy-3-[4-(5-bromopentyl)-3-keto-quinoxalin-2-yl]benzonitrile Formula: C27H24BrN3O2 MolecularWeight: 502.40236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C#N)C3=NC4=CC=CC=C4N(C3=O)CCCCCBr

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C#N)C3=NC4=CC=CC=C4N(C3=O)CCCCCBr

InChI

InChI=1S/C27H24BrN3O2/c28-15-7-2-8-16-31-24-12-6-5-11-23(24)30-26(27(31)32)22-17-21(18-29)13-14-25(22)33-19-20-9-3-1-4-10-20/h1,3-6,9-14,17H,2,7-8,15-16,19H2