(E)-3-(3-bromanyl-4-oxidanyl-phenyl)-2-(1-methyl-2-phenyl-indol-3-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-4-oxidanyl-phenyl)-2-(1-methyl-2-phenyl-indol-3-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-4-hydroxy-phenyl)-2-(1-methyl-2-phenyl-indole-3-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-4-hydroxyphenyl)-2-[(1-methyl-2-phenyl-3-indolyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-4-hydroxyphenyl)-2-(1-methyl-2-phenylindole-3-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(3-bromo-4-hydroxy-phenyl)-2-(1-methyl-2-phenyl-indole-3-carbonyl)acrylonitrile Formula: C25H17BrN2O2 MolecularWeight: 457.31868

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)C(=CC4=CC(=C(C=C4)O)Br)C#N

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)/C(=C/C4=CC(=C(C=C4)O)Br)/C#N

InChI

InChI=1S/C25H17BrN2O2/c1-28-21-10-6-5-9-19(21)23(24(28)17-7-3-2-4-8-17)25(30)18(15-27)13-16-11-12-22(29)20(26)14-16/h2-14,29H,1H3/b18-13+