3-[4-(5-iodanylpentyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]-4-phenylmethoxy-benzenecarbonitrile

Systemtic Name: 3-[4-(5-iodanylpentyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]-4-phenylmethoxy-benzenecarbonitrile Openeye Name: 4-benzyloxy-3-[4-(5-iodopentyl)-3-oxo-1,4-benzoxazin-2-yl]benzonitrile CAS Name: 3-[4-(5-iodopentyl)-3-oxo-1,4-benzoxazin-2-yl]-4-phenylmethoxybenzonitrile IUPAC Name: 3-[4-(5-iodopentyl)-3-oxo-1,4-benzoxazin-2-yl]-4-phenylmethoxybenzonitrile Traditional Name: 4-benzoxy-3-[4-(5-iodopentyl)-3-keto-1,4-benzoxazin-2-yl]benzonitrile Formula: C27H25IN2O3 MolecularWeight: 552.40347

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C#N)C3C(=O)N(C4=CC=CC=C4O3)CCCCCI

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C#N)C3C(=O)N(C4=CC=CC=C4O3)CCCCCI

InChI

InChI=1S/C27H25IN2O3/c28-15-7-2-8-16-30-23-11-5-6-12-25(23)33-26(27(30)31)22-17-21(18-29)13-14-24(22)32-19-20-9-3-1-4-10-20/h1,3-6,9-14,17,26H,2,7-8,15-16,19H2