3-[[5-bromanyl-2-methyl-6-oxidanylidene-3-(3-phenylpropyl)-1H-pyridin-4-yl]oxy]-5-chloranyl-benzenecarbonitrile

Systemtic Name: 3-[[5-bromanyl-2-methyl-6-oxidanylidene-3-(3-phenylpropyl)-1H-pyridin-4-yl]oxy]-5-chloranyl-benzenecarbonitrile Openeye Name: 3-[[5-bromo-2-methyl-6-oxo-3-(3-phenylpropyl)-1H-pyridin-4-yl]oxy]-5-chloro-benzonitrile CAS Name: 3-[[5-bromo-2-methyl-6-oxo-3-(3-phenylpropyl)-1H-pyridin-4-yl]oxy]-5-chlorobenzonitrile IUPAC Name: 3-[[5-bromo-2-methyl-6-oxo-3-(3-phenylpropyl)-1H-pyridin-4-yl]oxy]-5-chlorobenzonitrile Traditional Name: 3-[[3-bromo-2-keto-6-methyl-5-(3-phenylpropyl)-1H-pyridin-4-yl]oxy]-5-chloro-benzonitrile Formula: C22H18BrClN2O2 MolecularWeight: 457.74752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=O)N1)Br)OC2=CC(=CC(=C2)C#N)Cl)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(C(=O)N1)Br)OC2=CC(=CC(=C2)C#N)Cl)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H18BrClN2O2/c1-14-19(9-5-8-15-6-3-2-4-7-15)21(20(23)22(27)26-14)28-18-11-16(13-25)10-17(24)12-18/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,26,27)