4-[3-(3-bromanyl-3-phenyl-propyl)-2-(4-methoxyphenyl)-4-oxidanylidene-azetidin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[3-(3-bromanyl-3-phenyl-propyl)-2-(4-methoxyphenyl)-4-oxidanylidene-azetidin-1-yl]benzenecarbonitrile Openeye Name: 4-[3-(3-bromo-3-phenyl-propyl)-2-(4-methoxyphenyl)-4-oxo-azetidin-1-yl]benzonitrile CAS Name: 4-[3-(3-bromo-3-phenylpropyl)-2-(4-methoxyphenyl)-4-oxo-1-azetidinyl]benzonitrile IUPAC Name: 4-[3-(3-bromo-3-phenylpropyl)-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]benzonitrile Traditional Name: 4-[3-(3-bromo-3-phenyl-propyl)-2-keto-4-(4-methoxyphenyl)azetidin-1-yl]benzonitrile Formula: C26H23BrN2O2 MolecularWeight: 475.37702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)N2C3=CC=C(C=C3)C#N)CCC(C4=CC=CC=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(=O)N2C3=CC=C(C=C3)C#N)CCC(C4=CC=CC=C4)Br

InChI

InChI=1S/C26H23BrN2O2/c1-31-22-13-9-20(10-14-22)25-23(15-16-24(27)19-5-3-2-4-6-19)26(30)29(25)21-11-7-18(17-28)8-12-21/h2-14,23-25H,15-16H2,1H3