2-azanyl-4-[5-[(2-bromanylphenoxy)methyl]-2,4-dimethyl-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-[5-[(2-bromanylphenoxy)methyl]-2,4-dimethyl-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethyl-phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethyl-phenyl]-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C25H23BrN2O3 MolecularWeight: 479.36572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2C(=C(OC3=C2C(=O)CCC3)N)C#N)COC4=CC=CC=C4Br)C

Isomeric SMILES

CC1=CC(=C(C=C1C2C(=C(OC3=C2C(=O)CCC3)N)C#N)COC4=CC=CC=C4Br)C

InChI

InChI=1S/C25H23BrN2O3/c1-14-10-15(2)17(11-16(14)13-30-21-8-4-3-6-19(21)26)23-18(12-27)25(28)31-22-9-5-7-20(29)24(22)23/h3-4,6,8,10-11,23H,5,7,9,13,28H2,1-2H3