4-(4-bromanyl-2-tert-butyl-phenoxy)-2-(1-methylindol-2-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-(4-bromanyl-2-tert-butyl-phenoxy)-2-(1-methylindol-2-yl)-3-oxidanylidene-butanenitrile Openeye Name: 4-(4-bromo-2-tert-butyl-phenoxy)-2-(1-methylindol-2-yl)-3-oxo-butanenitrile CAS Name: 4-(4-bromo-2-tert-butylphenoxy)-2-(1-methyl-2-indolyl)-3-oxobutanenitrile IUPAC Name: 4-(4-bromo-2-tert-butylphenoxy)-2-(1-methylindol-2-yl)-3-oxobutanenitrile Traditional Name: 4-(4-bromo-2-tert-butyl-phenoxy)-3-keto-2-(1-methylindol-2-yl)butyronitrile Formula: C23H23BrN2O2 MolecularWeight: 439.34492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)C(C#N)C2=CC3=CC=CC=C3N2C

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)C(C#N)C2=CC3=CC=CC=C3N2C

InChI

InChI=1S/C23H23BrN2O2/c1-23(2,3)18-12-16(24)9-10-22(18)28-14-21(27)17(13-25)20-11-15-7-5-6-8-19(15)26(20)4/h5-12,17H,14H2,1-4H3