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

Systemtic Name: 2-azanyl-4-[3-[(2-bromanylphenoxy)methyl]-4-methoxy-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-[3-[(2-bromophenoxy)methyl]-4-methoxy-phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-[3-[(2-bromophenoxy)methyl]-4-methoxy-phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C26H25BrN2O4 MolecularWeight: 509.3917

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OC)COC4=CC=CC=C4Br)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OC)COC4=CC=CC=C4Br)C(=O)C1)C

InChI

InChI=1S/C26H25BrN2O4/c1-26(2)11-19(30)24-22(12-26)33-25(29)17(13-28)23(24)15-8-9-20(31-3)16(10-15)14-32-21-7-5-4-6-18(21)27/h4-10,23H,11-12,14,29H2,1-3H3