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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2C(=C(OC3=C2C(=O)CCC3)N)C#N)COC4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1C2C(=C(OC3=C2C(=O)CCC3)N)C#N)COC4=CC=C(C=C4)Br)C

InChI

InChI=1S/C25H23BrN2O3/c1-14-10-15(2)19(11-16(14)13-30-18-8-6-17(26)7-9-18)23-20(12-27)25(28)31-22-5-3-4-21(29)24(22)23/h6-11,23H,3-5,13,28H2,1-2H3